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102718-12-7 | Carbamimidothioic acid, N,N'-bis(4-methyl-2-thiazolyl)-, methyl ester
CAS No: 102718-12-7 Catalog No: AG00087J MDL No:
Product Description
Catalog Number:
AG00087J
Chemical Name:
Carbamimidothioic acid, N,N'-bis(4-methyl-2-thiazolyl)-, methyl ester
CAS Number:
102718-12-7
Molecular Formula:
C10H12N4S3
Molecular Weight:
284.4241
IUPAC Name:
methyl N,N'-bis(4-methyl-1,3-thiazol-2-yl)carbamimidothioate
InChI:
InChI=1S/C10H12N4S3/c1-6-4-16-9(11-6)13-8(15-3)14-10-12-7(2)5-17-10/h4-5H,1-3H3,(H,11,12,13,14)
InChI Key:
ZMQXCEKMBUZIOD-UHFFFAOYSA-N
SMILES:
CSC(=Nc1scc(n1)C)Nc1scc(n1)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.414g/mol
Monoisotopic Mass:
284.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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