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115172-99-1 | Carbamic acid, (2-amino-2-thioxoethyl)methyl-, phenylmethyl ester (9CI)
CAS No: 115172-99-1 Catalog No: AG000GDK MDL No:
Product Description
Catalog Number:
AG000GDK
Chemical Name:
Carbamic acid, (2-amino-2-thioxoethyl)methyl-, phenylmethyl ester (9CI)
CAS Number:
115172-99-1
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
IUPAC Name:
benzyl N-(2-amino-2-sulfanylideneethyl)-N-methylcarbamate
InChI:
InChI=1S/C11H14N2O2S/c1-13(7-10(12)16)11(14)15-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,16)
InChI Key:
LJYADYXTNPMQAI-UHFFFAOYSA-N
SMILES:
CN(C(=O)OCc1ccccc1)CC(=S)N
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.305g/mol
Monoisotopic Mass:
238.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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