Home Other Building Blocks 4-carbamothioylbenzamide

4-carbamothioylbenzamide

CAS No.:
80393-37-9
Catalog Number:
AG019NH8
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
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Product Description
Catalog Number:
AG019NH8
Chemical Name:
4-carbamothioylbenzamide
CAS Number:
80393-37-9
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD09950092
IUPAC Name:
4-carbamothioylbenzamide
InChI:
InChI=1S/C8H8N2OS/c9-7(11)5-1-3-6(4-2-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChI Key:
SFZWPDVFJRWAAO-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1)C(=S)N
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties