Basic information
- CAS
956576-75-3- Standard SMILES
CC1CCc2ccccc2N1S(=O)(=O)c1ccc(N=C=S)cc1- InChIKey
TUEPVZRQWTUJEB-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.0653201
Names & identifiers
- Preferred name
- 1-[(4-Isothiocyanatophenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
- IUPAC
- 1-(4-isothiocyanatophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
- English name
- 1-[(4-Isothiocyanatophenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
- Molecular formula
- C17H16N2O2S2
- Molecular weight
- 344.45
Names & synonyms
1-[(4-isothiocyanatophenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline956576-75-3MFCD099719671-(4-isothiocyanatophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline1-(4-isothiocyanatobenzenesulfonyl)-2-methyl-1,2,3,4-tetrahydroquinolineDTXSID301147979ALBB-003130BBL037682STK502622AKOS005171135VS-14367H22571
Show more names
Quinoline, 1,2,3,4-tetrahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-2-methyl-
1,2,3,4-Tetrahydro-1-[(4-isothiocyanatophenyl)sulfonyl]-2-methylquinoline1-(4-Isothiocyanatobenzene-1-sulfonyl)-2-methyl-1,2,3,4-tetrahydroquinoline
Database identifiers
- CAS
956576-75-3- PubChem CID
- 25219002
- DTXSID
DTXSID301147979
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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