Basic information
- CAS
120086-35-3- Standard SMILES
c1csc(C2NCCc3ccccc32)c1- InChIKey
FHDLSGWIMXIQQV-UHFFFAOYSA-N- Molecular formula
- C13H13NS
- Average molar mass
- 215.32 g/mol
- Monoisotopic mass
- 215.07687042
Names & identifiers
- Preferred name
- 1-(Thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
- English name
- 1-(2-Thienyl)-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C13H13NS
- Molecular weight
- 215.31
Names & synonyms
120086-35-31-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline1-Thiophen-2-yl-1,2,3,4-tetrahydro-isoquinoline1-(2-thienyl)-1,2,3,4-tetrahydroisoquinoline1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolineCHEMBL21830DTXSID403831472-(1,2,3,4-tetrahydroisoquinolyl)thiophene1,2,3,4-tetrahydro-1-(2-thienyl)isoquinolineAF-399/42531577SCHEMBL2330566FHDLSGWIMXIQQV-UHFFFAOYSA-N
Show more names
AURORA 23246AKOS BBS-00001344OTAVA-BB BB70175200551-(THIOPHEN-2-YL)-1H,3H,4H-ISOQUINOLINE1-THIEN-2-YL-1,2,3,4-TETRAHYDROISOQUINOLINEIsoquinoline, 1,2,3,4-tetrahydro-1-(2-thienyl)-
BDBM50017055MFCD00901002SBB018134AKOS000267421AKOS016038988DB-421075CS-0324813ST45174507
Database identifiers
- CAS
120086-35-3- PubChem CID
- 2793643
- DTXSID
DTXSID40383147- ChEMBL
CHEMBL21830
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers13 total
Carbone Scientific CO., LTD[email protected]
CHEMSWORTH[email protected]
圣克鲁斯生物技术(上海)有限公司021-60936350 · [email protected]
OTAVA-BB[email protected]
INTRCHM-FLUR[email protected]
爱必信(上海)生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
AURORA[email protected]
SPECS[email protected]
PRINCETON[email protected]
APOLLO-NMR[email protected]
3B Scientific Corporation[email protected]
Related reactions
2 records
Compound notes
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