3-sulfanylpropanenitrile, 95%

Name: 3-sulfanylpropanenitrile
Brand: Chempure

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CAS Number

1001-58-7

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IUPAC name	3-sulfanylpropanenitrile
inchi	InChI=1S/C3H5NS/c4-2-1-3-5/h5H,1,3H2
inchi key	FCTXEFOUDMXDPD-UHFFFAOYSA-N
molecular formula	C3H5NS
synonyms	1001-58-7 Propanenitrile, 3-mercapto- 3-mercaptopropanenitrile 3-sulfanylpropanenitrile 3-Mercaptopropiononitrile

Computed Properties

Molecular Weight:	87.15 g/mol
XLogP3:	0.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	87.01427034 g/mol
Monoisotopic Mass:	87.01427034 g/mol
Topological Polar Surface Area:	24.8 Å²
Heavy Atom Count:	5
Formal Charge:	0
Complexity:	51.2
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
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 (97.6%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (97.6%): 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!

Product No: AX0384

3-sulfanylpropanenitrile, 95%

Product No: AX0384

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Product No: AX0384

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?