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887913-52-2 | Carbamic acid, [(methylamino)thioxomethyl]-, 1,1-dimethylethyl ester
CAS No: 887913-52-2 Catalog No: AG004AU3 MDL No:MFCD16036320
Product Description
Catalog Number:
AG004AU3
Chemical Name:
Carbamic acid, [(methylamino)thioxomethyl]-, 1,1-dimethylethyl ester
CAS Number:
887913-52-2
Molecular Formula:
C7H14N2O2S
Molecular Weight:
190.2633
MDL Number:
MFCD16036320
IUPAC Name:
tert-butyl N-(methylcarbamothioyl)carbamate
InChI:
InChI=1S/C7H14N2O2S/c1-7(2,3)11-6(10)9-5(12)8-4/h1-4H3,(H2,8,9,10,12)
InChI Key:
AFLNTOSPDZMJLL-UHFFFAOYSA-N
SMILES:
CNC(=S)NC(=O)OC(C)(C)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.078g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.261g/mol
Monoisotopic Mass:
190.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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