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127980-82-9 | 2-Thiophenethiol, 3,4,5-trichloro-
CAS No: 127980-82-9 Catalog No: AG000XMG MDL No:
Product Description
Catalog Number:
AG000XMG
Chemical Name:
2-Thiophenethiol, 3,4,5-trichloro-
CAS Number:
127980-82-9
Molecular Formula:
C4HCl3S2
Molecular Weight:
219.5397
IUPAC Name:
3,4,5-trichlorothiophene-2-thiol
InChI:
InChI=1S/C4HCl3S2/c5-1-2(6)4(8)9-3(1)7/h8H
InChI Key:
NVUPVWSJMQCUHJ-UHFFFAOYSA-N
SMILES:
Sc1sc(c(c1Cl)Cl)Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.859g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.522g/mol
Monoisotopic Mass:
217.859g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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