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84586-82-3 | 1,3,4-Thiadiazole-2(3H)-thione, 3-(chloromethyl)-5-(4-chlorophenyl)-
CAS No: 84586-82-3 Catalog No: AG004QZN MDL No:
Product Description
Catalog Number:
AG004QZN
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 3-(chloromethyl)-5-(4-chlorophenyl)-
CAS Number:
84586-82-3
Molecular Formula:
C9H6Cl2N2S2
Molecular Weight:
277.1933
IUPAC Name:
3-(chloromethyl)-5-(4-chlorophenyl)-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C9H6Cl2N2S2/c10-5-13-9(14)15-8(12-13)6-1-3-7(11)4-2-6/h1-4H,5H2
InChI Key:
IWCBKTCKAGAVSE-UHFFFAOYSA-N
SMILES:
ClCn1nc(sc1=S)c1ccc(cc1)Cl
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.935g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.181g/mol
Monoisotopic Mass:
275.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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