AG0027H5

183302-68-3 | 4-Isopropyl-1,2,3-thiadiazole-5-carboxylic acid

AG0027H5

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CAS Number	183302-68-3
Catalog Number	AG0027H5(AGN-PC-0KKPFL)
Chemical Name	4-Isopropyl-1,2,3-thiadiazole-5-carboxylic acid
IUPAC Name	4-propan-2-ylthiadiazole-5-carboxylic acid
InChI	InChI=1S/C6H8N2O2S/c1-3(2)4-5(6(9)10)11-8-7-4/h3H,1-2H3,(H,9,10)
InChI Key	PKBQERAJZXEWRH-UHFFFAOYSA-N
MDL Number	MFCD01935987
Molecular Formula	C6H8N2O2S
Molecular Weight	172.2049
SMILES	C1(C(O)=O)SN=NC=1C(C)C
Synonyms	183302-68-3, 4-isopropyl-1,2,3-thiadiazole-5-carboxylic acid, 4-(propan-2-yl)-1,2,3-thiadiazole-5-carboxylic acid, 4-(methylethyl)-1,2,3-thiadiazole-5-carboxylic acid, 4-propan-2-ylthiadiazole-5-carboxylic Acid, AC1MC83O, SCHEMBL5717545, isopropylthiadiazolecarboxylicacid, CTK0H1256, KS-00001QRJ, DTXSID10376884, ZINC166275, 6153AD, MFCD01935987, SBB026622, STK510116, AKOS000301643, MCULE-1543440768, RP10565, RTR-008454, 10J-338S, AJ-16485, SC-32482, DB-065436, TR-008454, FT-0660631, ST45135545, EN300-86256, C-1380, 4-Isopropyl-[1,2,3]thiadiazole-5-carboxylic acid, I04-3973, J-515596, F8881-3818, Z2106601217, 1,2,3-Thiadiazole-5-carboxylic acid, 4-(1-methylethyl)-, 1,2,3-Thiadiazole-5-carboxylicacid, 4-(1-methylethyl)-, 4-isopropyl-1,2,3-thiadiazole-5-carboxylic acid, AldrichCPR, C6H8N2O2S, CID2763305, (6-METHYL-1-BENZOFURAN-3-YL)ACETIC ACID, 1,2,3-Thiadiazole-5-carboxylic acid, 4-(1-methylethyl)- (9CI), 4-Isopropyl-1,2,3-thiadiazole-5-carboxylic acid, 95% - 1G 1g,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.031g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.202g/mol
Monoisotopic Mass	172.031g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	91.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

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