thietane-3-carboxylic acid, 95%

Name: thietane-3-carboxylic acid
Brand: Chempure

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CAS Number

765-55-9

Molecular Weight

118.1542

Formula

C4H6O2S

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IUPAC name	thietane-3-carboxylic acid
canonical smiles	C1C(CS1)C(=O)O
inchi	InChI=1S/C4H6O2S/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)
inchi key	BDIPXAVHQNFRNU-UHFFFAOYSA-N
molecular formula	C4H6O2S
synonyms	thietane-3-carboxylic acid 765-55-9 thietane-3-carboxylicacid MFCD19229335 3-Thietanecarboxylic acid

Computed Properties

Molecular Weight:	118.16 g/mol
XLogP3:	0.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	118.00885060 g/mol
Monoisotopic Mass:	118.00885060 g/mol
Topological Polar Surface Area:	62.6 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	87.7
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	Danger
hazard classes and categories	Acute Tox. 4 (100%) Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Dam. 1 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AB3599

thietane-3-carboxylic acid, 95%

Product No: AB3599

About this item

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Certificate of Analysis

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Product No: AB3599

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?