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88798-43-0 | Methanethiol, methoxy-
CAS No: 88798-43-0 Catalog No: AG004AT2 MDL No:
Product Description
Catalog Number:
AG004AT2
Chemical Name:
Methanethiol, methoxy-
CAS Number:
88798-43-0
Molecular Formula:
C2H6OS
Molecular Weight:
78.1334
IUPAC Name:
methoxymethanethiol
InChI:
InChI=1S/C2H6OS/c1-3-2-4/h4H,2H2,1H3
InChI Key:
MJGXOSYVWHETDC-UHFFFAOYSA-N
SMILES:
COCS
Properties
Complexity:
10
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
78.014g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
78.129g/mol
Monoisotopic Mass:
78.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Molecular dynamics simulation of heat conduction through a molecular chain. | The journal of physical chemistry. A 20091224 |
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