AG004GIA

870703-97-2 | 5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid

AG004GIA

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CAS Number	870703-97-2
Catalog Number	AG004GIA(AGN-PC-00UQOQ)
Chemical Name	5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid
IUPAC Name	5-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid
InChI	InChI=1S/C12H10O2S2/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)
InChI Key	XESWRPZAGPHDST-UHFFFAOYSA-N
MDL Number	MFCD06801936
Molecular Formula	C12H10O2S2
Molecular Weight	250.3366
SMILES	CSc1ccc(cc1)c1ccc(s1)C(=O)O
Synonyms	870703-97-2, 5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid, 5-(4-(Methylthio)phenyl)thiophene-2-carboxylic acid, 2-Thiophenecarboxylicacid, 5-[4-(methylthio)phenyl]-, SCHEMBL6258470, CTK3E7663, DTXSID10584609, 5766AH, KM2466, MFCD06801936, SBB079550, ZINC12955856, AKOS004117328, RT-010427, BB 0222918, 5-(4-(METHYLTHIO)PHENYL)THIOPHENE-2-CAR&, 5-(4-methylthiophenyl)thiophene-2-carboxylic acid, 5-(4-Methylsulfanylphenyl)thiophene-2-carboxylic acid, 5-[4-(methylsulfanyl)phenyl]-2-thiophenecarboxylic acid, 5-[4-(Methylsulfanyl)phenyl]thiophene-2-carboxylic acid, 5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid, 97%, C12H10O2S2,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.012g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	250.33g/mol
Monoisotopic Mass	250.012g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	90.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319-H413
Packing Group
Precautionary statements	P305+P351+P338
UN Code

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