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136384-19-5 | 1,3,4-Thiadiazole-2(3H)-thione, 5-[[(2,4-dichlorophenyl)methyl]thio]-
CAS No: 136384-19-5 Catalog No: AG0011T9 MDL No:MFCD02946288
Product Description
Catalog Number:
AG0011T9
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-[[(2,4-dichlorophenyl)methyl]thio]-
CAS Number:
136384-19-5
Molecular Formula:
C9H6Cl2N2S3
Molecular Weight:
309.2583
MDL Number:
MFCD02946288
IUPAC Name:
5-[(2,4-dichlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C9H6Cl2N2S3/c10-6-2-1-5(7(11)3-6)4-15-9-13-12-8(14)16-9/h1-3H,4H2,(H,12,14)
InChI Key:
XPKHYWRIWANKDK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)CSc1n[nH]c(=S)s1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.907g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.241g/mol
Monoisotopic Mass:
307.907g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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