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Home Other Building Blocks Carbonotrithioic acid, dimethyl ester

Carbonotrithioic acid, dimethyl ester

CAS No.:
2314-48-9
Catalog Number:
AG002MCA
Molecular Formula:
C3H6S3
Molecular Weight:
138.2747
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Product Description
Catalog Number:
AG002MCA
Chemical Name:
Carbonotrithioic acid, dimethyl ester
CAS Number:
2314-48-9
Molecular Formula:
C3H6S3
Molecular Weight:
138.2747
IUPAC Name:
bis(methylsulfanyl)methanethione
InChI:
InChI=1S/C3H6S3/c1-5-3(4)6-2/h1-2H3
InChI Key:
IQWMXKTYXNMSLC-UHFFFAOYSA-N
SMILES:
CSC(=S)SC
Properties
Complexity:
44  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.963g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.261g/mol
Monoisotopic Mass:
137.963g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Abiotic synthesis of organic compounds from carbon disulfide under hydrothermal conditions. Astrobiology 20051201
The 13C chemical shift tensor principal values and orientations in dialkyl carbonates and trithiocarbonates. Solid state nuclear magnetic resonance 20021201
Properties