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13229-02-2 | 3H-1,2,4-Triazole-3-thione, 4-amino-5-(2-chlorophenyl)-2,4-dihydro-
CAS No: 13229-02-2 Catalog No: AG0010HG MDL No:MFCD01940464
Product Description
Catalog Number:
AG0010HG
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-amino-5-(2-chlorophenyl)-2,4-dihydro-
CAS Number:
13229-02-2
Molecular Formula:
C8H7ClN4S
Molecular Weight:
226.6860
MDL Number:
MFCD01940464
IUPAC Name:
4-amino-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C8H7ClN4S/c9-6-4-2-1-3-5(6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14)
InChI Key:
LCHRECYVKFDKAP-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1n[nH]c(=S)n1N
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.682g/mol
Monoisotopic Mass:
226.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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