2-Methylthiophene-3-carboxylic Acid - CAS 1918-78-1

Catalog:	BB014846
Product Name:	2-Methylthiophene-3-carboxylic Acid
CAS:	1918-78-1
Synonyms:	2-methyl-3-thiophenecarboxylic acid; 2-methylthiophene-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methylthiophene-3-carboxylic acid
Description:	2-Methylthiophene-3-carboxylic Acid (CAS# 1918-78-1) is a useful research chemical.
Molecular Weight:	142.18
Molecular Formula:	C6H6O2S
Canonical SMILES:	CC1=C(C=CS1)C(=O)O
InChI:	InChI=1S/C6H6O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
InChI Key:	YJZOPBSZDIBXBG-UHFFFAOYSA-N
Boiling Point:	271.5 °C at 760 mmHg
Density:	1.319 g/cm³
Appearance:	Solid
LogP:	1.75470

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.00885060
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.00885060
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5