Basic information
- CAS
26037-60-5- Standard SMILES
CSC1=CC(=O)c2ccccc2C1=O- InChIKey
GGFFBRRZAKLGFX-UHFFFAOYSA-N- Molecular formula
- C11H8O2S
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.02450067
Overview
unique sulfur-containing quinone from Hydrogenobacter thermophilus; structure given in first source
Names & identifiers
- Preferred name
- 2-Methylthio-1,4-naphthoquinone
- IUPAC
- 2-methylsulfanylnaphthalene-1,4-dione
- English name
- 2-methylthio-1,4-naphthoquinone
- Molecular formula
- C11H8O2S
- Molecular weight
- 204.24
Names & synonyms
2-Methylthio-1,4-naphthoquinone26037-60-51,4-Naphthalenedione, 2-(methylthio)-NSC-67209CU38B5F52JDTXSID60876662RefChem:88399DTXCID4010147571,4-Naphthoquinone, 2-(methylthio)-2-(methylthio)naphthalene-1,4-dione2-methylsulfanylnaphthalene-1,4-dioneCHEMBL2335531
Show more names
NSC67209NSC 672091, 2-(methylthio)-NCIOpen2_003036SCHEMBL357220SCHEMBL18191020GGFFBRRZAKLGFX-UHFFFAOYSA-N2-(Methylsulfanyl)naphthoquinone #
Database identifiers
- CAS
26037-60-5- PubChem CID
- 96324
- DTXSID
DTXSID60876662- ChEMBL
CHEMBL2335531- UNII
- CU38B5F52J
- Nikkaji
- J520.286H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 306
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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