Home Other Building Blocks 1H-PYRROLE-3-CARBOTHIOAMIDE

1H-PYRROLE-3-CARBOTHIOAMIDE

CAS No.:
90980-16-8
Catalog Number:
AG01DWU2
Molecular Formula:
C5H6N2S
Molecular Weight:
126.1795
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Product Description
Catalog Number:
AG01DWU2
Chemical Name:
1H-PYRROLE-3-CARBOTHIOAMIDE
CAS Number:
90980-16-8
Molecular Formula:
C5H6N2S
Molecular Weight:
126.1795
MDL Number:
MFCD19208208
IUPAC Name:
1H-pyrrole-3-carbothioamide
InChI:
InChI=1S/C5H6N2S/c6-5(8)4-1-2-7-3-4/h1-3,7H,(H2,6,8)
InChI Key:
UFTWMKYNRHJPES-UHFFFAOYSA-N
SMILES:
NC(=S)c1c[nH]cc1
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.025g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
126.177g/mol
Monoisotopic Mass:
126.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties