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114676-40-3 | Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester (9CI)
CAS No: 114676-40-3 Catalog No: AG000F12 MDL No:
Product Description
Catalog Number:
AG000F12
Chemical Name:
Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester (9CI)
CAS Number:
114676-40-3
Molecular Formula:
C10H10N2O2S2
Molecular Weight:
254.3286
IUPAC Name:
methyl N-(benzoylcarbamoyl)carbamodithioate
InChI:
InChI=1S/C10H10N2O2S2/c1-16-10(15)12-9(14)11-8(13)7-5-3-2-4-6-7/h2-6H,1H3,(H2,11,12,13,14,15)
InChI Key:
CWCVSIWVEXQWIE-UHFFFAOYSA-N
SMILES:
CSC(=S)NC(=O)NC(=O)c1ccccc1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.322g/mol
Monoisotopic Mass:
254.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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