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88312-55-4

88312-55-4 | 3H-1,2,4-Triazole-3-thione, 5-amino-2,4-dihydro-4-propyl-

CAS No: 88312-55-4 Catalog No: AG0048HN MDL No:

Product Description

Catalog Number:
AG0048HN
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-amino-2,4-dihydro-4-propyl-
CAS Number:
88312-55-4
Molecular Formula:
C5H10N4S
Molecular Weight:
158.2247
IUPAC Name:
3-amino-4-propyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C5H10N4S/c1-2-3-9-4(6)7-8-5(9)10/h2-3H2,1H3,(H2,6,7)(H,8,10)
InChI Key:
PINBTJKUOHXFSH-UHFFFAOYSA-N
SMILES:
CCCn1c(N)n[nH]c1=S

Properties

Complexity:
177  
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:
2  
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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