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2651-16-3 | Carbamimidothioic acid, N-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS No: 2651-16-3 Catalog No: AG002THU MDL No:
Product Description
Catalog Number:
AG002THU
Chemical Name:
Carbamimidothioic acid, N-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS Number:
2651-16-3
Molecular Formula:
C9H12N2O2S2
Molecular Weight:
244.3338
IUPAC Name:
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
InChI:
InChI=1S/C9H12N2O2S2/c1-7-3-5-8(6-4-7)15(12,13)11-9(10)14-2/h3-6H,1-2H3,(H2,10,11)
InChI Key:
ZWAMEGGTEJHAOT-UHFFFAOYSA-N
SMILES:
CSC(=N)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.327g/mol
Monoisotopic Mass:
244.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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