Basic information
- CAS
58861-61-3- Standard SMILES
S=c1[nH]c2ccccc2nc1-c1ccccc1- InChIKey
RZDZNIAZFJPDQC-UHFFFAOYSA-N- Molecular formula
- C14H10N2S
- Average molar mass
- 238.31 g/mol
- Monoisotopic mass
- 238.0564695
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-phenylquinoxaline-2(1H)-thione
- IUPAC
- 3-phenyl-1H-quinoxaline-2-thione
- English name
- 3-Phenyl-quinoxaline-2-thiol
- Molecular formula
- C14H10N2S
- Molecular weight
- 238.31
Names & synonyms
3-phenylquinoxaline-2(1h)-thioneRefChem:9116183-phenylquinoxaline-2-thiol58861-61-33-phenyl-1H-quinoxaline-2-thione3-PHENYL-QUINOXALINE-2-THIOLMFCD005465122-quinoxalinethiol, 3-phenyl-DTXSID70395157ALBB-023556SBB057449STL070910
Show more names
2(1H)-Quinoxalinethione, 3-phenyl-
AKOS002663479AKOS032963839CCG-287314LS-07428DB-262482CS-0331699ST45025758H34051
Database identifiers
- CAS
58861-61-3- PubChem CID
- 3694789
- DTXSID
DTXSID70395157- Nikkaji
- J875.973A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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