Basic information
- CAS
931114-44-2- Standard SMILES
O=C(Cl)OCC1=Cc2c(ccc3ccccc23)S1(=O)=O- InChIKey
NWRDXQCUXFAGMZ-UHFFFAOYSA-N- Molecular formula
- C14H9ClO4S
- Average molar mass
- 308.7 g/mol
- Monoisotopic mass
- 307.9910076
Names & identifiers
- Preferred name
- (3,3-Dioxidonaphtho[2,1-b]thien-2-yl)methyl carbonochloridate
- IUPAC
- (3,3-dioxobenzo[e][1]benzothiol-2-yl)methyl carbonochloridate
Names & synonyms
DTXSID301181618(3,3-Dioxidonaphtho[2,1-b]thien-2-yl)methyl carbonochloridate931114-44-2(3,3-Dioxo-3H-3lambda~6~-naphtho[2,1-b]thiophen-2-yl)methyl carbonochloridate
Database identifiers
- CAS
931114-44-2- PubChem CID
- 16111199
- DTXSID
DTXSID301181618
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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