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101506-43-8 | Carbonothioic acid, O-(1-chloroethyl) S-ethyl ester
CAS No: 101506-43-8 Catalog No: AG0004NN MDL No:
Product Description
Catalog Number:
AG0004NN
Chemical Name:
Carbonothioic acid, O-(1-chloroethyl) S-ethyl ester
CAS Number:
101506-43-8
Molecular Formula:
C5H9ClO2S
Molecular Weight:
168.6418
IUPAC Name:
1-chloroethyl ethylsulfanylformate
InChI:
InChI=1S/C5H9ClO2S/c1-3-9-5(7)8-4(2)6/h4H,3H2,1-2H3
InChI Key:
YFFLARCIYCUHQW-UHFFFAOYSA-N
SMILES:
CCSC(=O)OC(Cl)C
Properties
Complexity:
97
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.001g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.635g/mol
Monoisotopic Mass:
168.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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