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24848-20-2 | 3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-(trifluoromethyl)-
CAS No: 24848-20-2 Catalog No: AG002PMT MDL No:MFCD00101076
Product Description
Catalog Number:
AG002PMT
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-(trifluoromethyl)-
CAS Number:
24848-20-2
Molecular Formula:
C3H3F3N4S
Molecular Weight:
184.1429
MDL Number:
MFCD00101076
IUPAC Name:
4-amino-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C3H3F3N4S/c4-3(5,6)1-8-9-2(11)10(1)7/h7H2,(H,9,11)
InChI Key:
CTUZXHZTENNONS-UHFFFAOYSA-N
SMILES:
FC(c1n[nH]c(=S)n1N)(F)F
NSC Number:
156613
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.003g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.14g/mol
Monoisotopic Mass:
184.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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