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88312-58-7 | 3H-1,2,4-Triazole-3-thione, 5-amino-2,4-dihydro-4-(1-methylethyl)-
CAS No: 88312-58-7 Catalog No: AG0048HM MDL No:MFCD01925229
Product Description
Catalog Number:
AG0048HM
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-amino-2,4-dihydro-4-(1-methylethyl)-
CAS Number:
88312-58-7
Molecular Formula:
C5H10N4S
Molecular Weight:
158.2247
MDL Number:
MFCD01925229
IUPAC Name:
3-amino-4-propan-2-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C5H10N4S/c1-3(2)9-4(6)7-8-5(9)10/h3H,1-2H3,(H2,6,7)(H,8,10)
InChI Key:
OTYIMBZYHSJUPD-UHFFFAOYSA-N
SMILES:
CC(n1c(N)n[nH]c1=S)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.223g/mol
Monoisotopic Mass:
158.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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