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130087-63-7 | 3H-1,2,4-Triazole-3-thione, 5-[(2,4-dichlorophenoxy)methyl]-1,2-dihydro-
CAS No: 130087-63-7 Catalog No: AG000TZT MDL No:
Product Description
Catalog Number:
AG000TZT
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-[(2,4-dichlorophenoxy)methyl]-1,2-dihydro-
CAS Number:
130087-63-7
Molecular Formula:
C9H7Cl2N3OS
Molecular Weight:
276.1424
IUPAC Name:
5-[(2,4-dichlorophenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C9H7Cl2N3OS/c10-5-1-2-7(6(11)3-5)15-4-8-12-9(16)14-13-8/h1-3H,4H2,(H2,12,13,14,16)
InChI Key:
OYUKXIGPQQNPDH-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)OCc1[nH][nH]c(=S)n1
NSC Number:
634489
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.969g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.135g/mol
Monoisotopic Mass:
274.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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