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189279-23-0 | Ethanethioic acid, S-[3-(ethylthio)-3-iminopropyl] ester
CAS No: 189279-23-0 Catalog No: AG002I68 MDL No:
Product Description
Catalog Number:
AG002I68
Chemical Name:
Ethanethioic acid, S-[3-(ethylthio)-3-iminopropyl] ester
CAS Number:
189279-23-0
Molecular Formula:
C7H13NOS2
Molecular Weight:
191.3142
IUPAC Name:
S-(3-ethylsulfanyl-3-iminopropyl) ethanethioate
InChI:
InChI=1S/C7H13NOS2/c1-3-10-7(8)4-5-11-6(2)9/h8H,3-5H2,1-2H3
InChI Key:
WHZGTCUXWZFHEG-UHFFFAOYSA-N
SMILES:
CCSC(=N)CCSC(=O)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.307g/mol
Monoisotopic Mass:
191.044g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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