Home Other Building Blocks 2-(1H-1,2,3-triazol-1-yl)ethanethioamide

2-(1H-1,2,3-triazol-1-yl)ethanethioamide

CAS No.:
2022397-24-4
Catalog Number:
AG01EINB
Molecular Formula:
C4H6N4S
Molecular Weight:
142.1822
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Product Description
Catalog Number:
AG01EINB
Chemical Name:
2-(1H-1,2,3-triazol-1-yl)ethanethioamide
CAS Number:
2022397-24-4
Molecular Formula:
C4H6N4S
Molecular Weight:
142.1822
MDL Number:
MFCD31666646
IUPAC Name:
2-(triazol-1-yl)ethanethioamide
InChI:
InChI=1S/C4H6N4S/c5-4(9)3-8-2-1-6-7-8/h1-2H,3H2,(H2,5,9)
InChI Key:
FYOFIZBQJYVXHE-UHFFFAOYSA-N
SMILES:
NC(=S)Cn1ccnn1
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.031g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.18g/mol
Monoisotopic Mass:
142.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties