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13068-53-6

13068-53-6 | Carbamimidothioic acid, N-phenyl-N'-(phenylsulfonyl)-, methyl ester

CAS No: 13068-53-6 Catalog No: AG000UT2 MDL No:

Product Description

Catalog Number:
AG000UT2
Chemical Name:
Carbamimidothioic acid, N-phenyl-N'-(phenylsulfonyl)-, methyl ester
CAS Number:
13068-53-6
Molecular Formula:
C14H14N2O2S2
Molecular Weight:
306.4032
IUPAC Name:
methyl N'-(benzenesulfonyl)-N-phenylcarbamimidothioate
InChI:
InChI=1S/C14H14N2O2S2/c1-19-14(15-12-8-4-2-5-9-12)16-20(17,18)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,16)
InChI Key:
MHSKPUNWRHBUNI-UHFFFAOYSA-N
SMILES:
CSC(=NS(=O)(=O)c1ccccc1)Nc1ccccc1

Properties

Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.05g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
306.398g/mol
Monoisotopic Mass:
306.05g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4  

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