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14627-83-9 | Carbamothioic acid, (phenylsulfonyl)-, O-ethyl ester (9CI)
CAS No: 14627-83-9 Catalog No: AG001DUF MDL No:
Product Description
Catalog Number:
AG001DUF
Chemical Name:
Carbamothioic acid, (phenylsulfonyl)-, O-ethyl ester (9CI)
CAS Number:
14627-83-9
Molecular Formula:
C9H11NO3S2
Molecular Weight:
245.3185
IUPAC Name:
O-ethyl N-(benzenesulfonyl)carbamothioate
InChI:
InChI=1S/C9H11NO3S2/c1-2-13-9(14)10-15(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,14)
InChI Key:
JTILKZPUGLUFES-UHFFFAOYSA-N
SMILES:
CCOC(=S)NS(=O)(=O)c1ccccc1
NSC Number:
144065
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.311g/mol
Monoisotopic Mass:
245.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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