AG002JVF

20873-58-9 | 2-Thiophenecarboxylic acid, 5-(methylthio)-

AG002JVF

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CAS Number	20873-58-9
Catalog Number	AG002JVF(AGN-PC-0JVC4O)
Chemical Name	2-Thiophenecarboxylic acid, 5-(methylthio)-
IUPAC Name	5-methylsulfanylthiophene-2-carboxylic acid
InChI	InChI=1S/C6H6O2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key	FWFWUSLBIIIIEN-UHFFFAOYSA-N
MDL Number	MFCD00173742
Molecular Formula	C6H6O2S2
Molecular Weight	174.2406
SMILES	CSC1=CC=C(S1)C(=O)O
Synonyms	20873-58-9, 5-methylsulfanylthiophene-2-carboxylic acid, 5-(methylthio)thiophene-2-carboxylic acid, 2-thiophenecarboxylic acid, 5-(methylthio)-, 5-(methylsulfanyl)thiophene-2-carboxylic acid, CHEMBL450866, MFCD00173742, 2-Thiophenecarboxylicacid, 5-(methylthio)-, 5-methylthiothiophene-2-carboxylic acid, ZERO/008316, AC1Q5UIM, Maybridge1_007717, ChemDiv2_000116, AC1LEM73, AC1Q4H1V, Cambridge id 5103856, SCHEMBL2723219, CTK1A1236, HMS563G17, KS-00000KTP, DTXSID70351935, FWFWUSLBIIIIEN-UHFFFAOYSA-N, HMS1369F06, ZINC109304, ZX-AT009506, ANW-59850, BBL104086, BDBM50261993, CCG-47480, FCH918726, SBB002900, SEW 03638, STL557901, 5-methylmercaptothiophene-2-carboxylic, AKOS000313662, CS-W017496, MCULE-7176732422, OR29198, TRA0025465, VT20308, 5-methylthio-2-thiophenecarboxylic acid, ACM20873589, 5-(Methylthio)thiophene-2-carboxylicacid, NCGC00328567-01, AJ-11307, AK-34056, CC-20820, TS-00170, 5-(methylthio)-2-thiophenecarboxylic acid, AX8003553, DB-045413, TC-148595, FT-0619724, ST24044902, ST51043674, Z2927, 5-(Methylsulphanyl)thiophene-2-carboxylic acid, C-1175, AB01321581-02, A814992, C-05881, SR-01000406260, SR-01000406260-1, SR-01000406260-2, 5-(methylthio)thiophene-2-carboxylic acid, AldrichCPR, I14-108400, D04NGC, C6H6O2S2, AR-1E5609, CID714372, 5-(Methylthio)thiophene-2-carboxylic acid, 97% - 1G 1g, 20960-77-4,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.981g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.232g/mol
Monoisotopic Mass	173.981g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	90.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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