2-amino-3-methyl-3-sulfanylbutanoic acid, 95%

Name: 2-amino-3-methyl-3-sulfanylbutanoic acid
Brand: Chempure

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CAS Number

52-66-4

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IUPAC name	2-amino-3-methyl-3-sulfanylbutanoic acid
inchi	InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
inchi key	VVNCNSJFMMFHPL-UHFFFAOYSA-N
molecular formula	C5H11NO2S
synonyms	DL-Penicillamine 52-66-4 2-Amino-3-mercapto-3-methylbutanoic acid 3,3-Dimethyl-DL-cysteine DL-3-Mercaptovaline
Compound Description	Penicillamine is an alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group. It is a non-proteinogenic alpha-amino acid and a thiol. 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease. See also: Penicillamine ; L-Penicillamine .

Computed Properties

Molecular Weight:	149.21 g/mol
XLogP3:	-1.8
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	149.05104977 g/mol
Monoisotopic Mass:	149.05104977 g/mol
Topological Polar Surface Area:	64.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	124
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (97.7%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-amino-3-methyl-3-sulfanylbutanoic acid
inchi	InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
inchi key	VVNCNSJFMMFHPL-UHFFFAOYSA-N
molecular formula	C5H11NO2S
synonyms	DL-Penicillamine 52-66-4 2-Amino-3-mercapto-3-methylbutanoic acid 3,3-Dimethyl-DL-cysteine DL-3-Mercaptovaline
Compound Description	Penicillamine is an alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group. It is a non-proteinogenic alpha-amino acid and a thiol. 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease. See also: Penicillamine ; L-Penicillamine .

Computed Properties

Molecular Weight:	149.21 g/mol
XLogP3:	-1.8
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	149.05104977 g/mol
Monoisotopic Mass:	149.05104977 g/mol
Topological Polar Surface Area:	64.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	124
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (97.7%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CH1628

2-amino-3-methyl-3-sulfanylbutanoic acid, 95%

Product No: CH1628

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Reviews

Product No: CH1628

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?