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87234-27-3 | Carbonodithioic acid,O-ethyl S-4-pyridinyl ester (9CI)
CAS No: 87234-27-3 Catalog No: AG004MND MDL No:
Product Description
Catalog Number:
AG004MND
Chemical Name:
Carbonodithioic acid,O-ethyl S-4-pyridinyl ester (9CI)
CAS Number:
87234-27-3
Molecular Formula:
C8H9NOS2
Molecular Weight:
199.2932
IUPAC Name:
O-ethyl pyridin-4-ylsulfanylmethanethioate
InChI:
InChI=1S/C8H9NOS2/c1-2-10-8(11)12-7-3-5-9-6-4-7/h3-6H,2H2,1H3
InChI Key:
ZREPUWYMDZSTSC-UHFFFAOYSA-N
SMILES:
CCOC(=S)Sc1ccncc1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.286g/mol
Monoisotopic Mass:
199.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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