1-(Thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline

HCID 2793643

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

Physicochemical properties

HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_class
IRRITANT

Chemistry & industry

Suppliers13 total

Carbone Scientific CO., LTD[email protected]
圣克鲁斯生物技术(上海)有限公司021-60936350 · [email protected]
INTRCHM-FLUR[email protected]

Related reactions

2 records

Compound notes

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