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101010-60-0 | Ethanethioic acid, 2,2-bis(methylthio)-, S-methyl ester
CAS No: 101010-60-0 Catalog No: AG0003IE MDL No:
Product Description
Catalog Number:
AG0003IE
Chemical Name:
Ethanethioic acid, 2,2-bis(methylthio)-, S-methyl ester
CAS Number:
101010-60-0
Molecular Formula:
C5H10OS3
Molecular Weight:
182.3273
IUPAC Name:
S-methyl 2,2-bis(methylsulfanyl)ethanethioate
InChI:
InChI=1S/C5H10OS3/c1-7-4(6)5(8-2)9-3/h5H,1-3H3
InChI Key:
LUDXMWZQWDRUQB-UHFFFAOYSA-N
SMILES:
CSC(=O)C(SC)SC
Properties
Complexity:
90.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.989g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.314g/mol
Monoisotopic Mass:
181.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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