Basic information
- CAS
53501-90-9- Standard SMILES
CSCCS(=O)(=O)O- InChIKey
FGMRHOCVEPGURB-UHFFFAOYSA-N- Molecular formula
- C3H8O3S2
- Average molar mass
- 156.2 g/mol
- Monoisotopic mass
- 155.99148646
Overview
Methyl-CoM is a S-substituted coenzyme M. It is a conjugate acid of a methyl-CoM(1-).
Names & identifiers
- Preferred name
- Methyl-CoM
- IUPAC
- 2-methylsulfanylethanesulfonic acid
- English name
- methyl coenzyme M
- Molecular formula
- C3H8O3S2
- Molecular weight
- 156.22
Names & synonyms
methyl-CoMmethylcoenzyme M2-(methylsulfanyl)ethanesulfonic acidCHEBI:17827RefChem:1089664methyl coenzyme MMethyl com53501-90-92-(Methylthio)ethanesulfonic acid2-(methylthio)ethanesulfonateCH3-S-Coenzyme Mmetilcoenzima M
Show more names
2-methylsulfanyl-ethanesulfonic acid
Methylcoenzym M2-methylsulfanylethanesulfonic acid2-(Methylthio)ethane-1-sulfonic acid2-(methylsulfanyl)ethane-1-sulfonic acidethanesulfonic acid, 2-(methylthio)-2-(Methylthio)-aethansulfonsaeureSCHEMBL84504DTXSID00201717
Database identifiers
- CAS
53501-90-9- PubChem CID
- 893
- DTXSID
DTXSID00201717- ChEBI
CHEBI:17827- Nikkaji
- J814.297A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- pka
- 1.36 · 1.36±0.50(Predicted)
Chemistry & industry
Suppliers2 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
Additional notes
DefinitionChEBI: Methyl-CoM is a S-substituted coenzyme M. It is a conjugate acid of a methyl-CoM(1-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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