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115398-68-0 | 3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-(1-phenoxyethyl)-
CAS No: 115398-68-0 Catalog No: AG000FXL MDL No:
Product Description
Catalog Number:
AG000FXL
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-(1-phenoxyethyl)-
CAS Number:
115398-68-0
Molecular Formula:
C10H12N4OS
Molecular Weight:
236.2935
IUPAC Name:
4-amino-3-(1-phenoxyethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H12N4OS/c1-7(9-12-13-10(16)14(9)11)15-8-5-3-2-4-6-8/h2-7H,11H2,1H3,(H,13,16)
InChI Key:
ACNBOAQRPFNDAP-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]c(=S)n1N)Oc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.293g/mol
Monoisotopic Mass:
236.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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