3-methylbenzene-1-carbothioamide, 95%

Name: 3-methylbenzene-1-carbothioamide
Brand: Chempure

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CAS Number

2362-63-2

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About this item

IUPAC name	3-methylbenzenecarbothioamide
inchi	InChI=1S/C8H9NS/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
inchi key	NUFFXGAGGYWFAV-UHFFFAOYSA-N
molecular formula	C8H9NS
synonyms	2362-63-2 3-methylbenzothioamide 3-methylbenzenecarbothioamide 3-methyl-thiobenzamide 3-Methylthiobenzamide

Computed Properties

Molecular Weight:	151.23 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	1
Exact Mass:	151.04557046 g/mol
Monoisotopic Mass:	151.04557046 g/mol
Topological Polar Surface Area:	58.1 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	133
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 (83.3%) Skin Irrit. 2 (16.7%) Eye Irrit. 2 (16.7%) STOT SE 3 (16.7%)
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 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (16.7%): 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!

Product No: BV6135

3-methylbenzene-1-carbothioamide, 95%

Product No: BV6135

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Product No: BV6135

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?