Home Other Building Blocks 4-sulfamoylbenzene-1-carbothioamide

4-sulfamoylbenzene-1-carbothioamide

CAS No.:
56236-74-9
Catalog Number:
AG01A91F
Molecular Formula:
C7H8N2O2S2
Molecular Weight:
216.2806
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Product Description
Catalog Number:
AG01A91F
Chemical Name:
4-sulfamoylbenzene-1-carbothioamide
CAS Number:
56236-74-9
Molecular Formula:
C7H8N2O2S2
Molecular Weight:
216.2806
MDL Number:
MFCD09929988
IUPAC Name:
4-sulfamoylbenzenecarbothioamide
InChI:
InChI=1S/C7H8N2O2S2/c8-7(12)5-1-3-6(4-2-5)13(9,10)11/h1-4H,(H2,8,12)(H2,9,10,11)
InChI Key:
HELROTSKXOWDJY-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(cc1)S(=O)(=O)N
NSC Number:
221586
Properties
Complexity:
286  
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:
4  
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:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties