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7154-50-9 | 2H-1,2,4-triazol-3-ylthiourea
CAS No: 7154-50-9 Catalog No: AG005GS2 MDL No:
Product Description
Catalog Number:
AG005GS2
Chemical Name:
2H-1,2,4-triazol-3-ylthiourea
CAS Number:
7154-50-9
Molecular Formula:
C3H5N5S
Molecular Weight:
143.1703
IUPAC Name:
1H-1,2,4-triazol-5-ylthiourea
InChI:
InChI=1S/C3H5N5S/c4-2(9)7-3-5-1-6-8-3/h1H,(H4,4,5,6,7,8,9)
InChI Key:
PFFZMYXKXFOGGP-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ncn[nH]1
NSC Number:
73581
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
143.168g/mol
Monoisotopic Mass:
143.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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