AG003850

13368-86-0 | 1,2,5-thiadiazole-3-carboxylic acid

AG003850

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CAS Number	13368-86-0
Catalog Number	AG003850(AGN-PC-0K4PIS)
Chemical Name	1,2,5-thiadiazole-3-carboxylic acid
IUPAC Name	1,2,5-thiadiazole-3-carboxylic acid
InChI	InChI=1S/C3H2N2O2S/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)
InChI Key	GFTBMBHVZZFGCK-UHFFFAOYSA-N
MDL Number	MFCD01334979
Molecular Formula	C3H2N2O2S
Molecular Weight	130.1252
SMILES	S1N=C(C=N1)C(=O)O
Synonyms	1,2,5-thiadiazole-3-carboxylic acid, 13368-86-0, 1,2,5-Thiadiazole-3-carboxylicacid, [1,2,5]Thiadiazole-3-carboxylic acid, ZERO/004995, AC1LRKA8, AC1Q748Y, CHEMBL247135, SCHEMBL1656922, CTK0H4233, DTXSID30362769, GFTBMBHVZZFGCK-UHFFFAOYSA-N, ZINC1270256, 4605AH, MFCD01334979, SBB013143, STK727290, AKOS000520461, AKOS002664358, AB09086, MCULE-1904082193, AJ-25292, BS-12889, SY123045, AB0109513, DB-062986, ST4131899, BB 0254862, FT-0648372, EN300-42270, MFCD01334979 (95%), L-5225, 1,2,5-thiadiazole-3-carboxylic acid, AldrichCPR, A806663, I14-40751, F2169-0490, Z451350478, A4140/0176453, C3H2N2O2S, CID1398314,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.984g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	130.121g/mol
Monoisotopic Mass	129.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	91.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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