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13068-68-3 | Benzenesulfonamide, N-(aminothioxomethyl)-
CAS No: 13068-68-3 Catalog No: AG000UTP MDL No:
Product Description
Catalog Number:
AG000UTP
Chemical Name:
Benzenesulfonamide, N-(aminothioxomethyl)-
CAS Number:
13068-68-3
Molecular Formula:
C7H8N2O2S2
Molecular Weight:
216.2806
IUPAC Name:
benzenesulfonylthiourea
InChI:
InChI=1S/C7H8N2O2S2/c8-7(12)9-13(10,11)6-4-2-1-3-5-6/h1-5H,(H3,8,9,12)
InChI Key:
PVMBGVAQRSHDBB-UHFFFAOYSA-N
SMILES:
NC(=S)NS(=O)(=O)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.273g/mol
Monoisotopic Mass:
216.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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