Basic information
- CAS
247206-89-9- Standard SMILES
Cc1ccc(C(=O)c2c(N)sc3c2CCCC3)cc1- InChIKey
JYZWVEXZUHVDBR-UHFFFAOYSA-N- Molecular formula
- C16H17NOS
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.10308534
Names & identifiers
- Preferred name
- (2-Amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(4-methylphenyl)methanone
- IUPAC
- (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-methylphenyl)methanone
- English name
- Methanone, (2-aMino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)(4-Methylphenyl)-
- Molecular formula
- C16H17NOS
- Molecular weight
- 271.38
Names & synonyms
247206-89-9(2-amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(4-methylphenyl)methanone3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(p-tolyl)methanoneMFCD00437444methanone, (2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)(4-methylphenyl)-(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-methylphenyl)methanone(2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-p-tolyl-methanoneCHEMBL331504(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)(4-methylphenyl)methanone2-amino(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl) 4-methylphenyl ketoneCBMicro_016926
Show more names
Oprea1_532046SCHEMBL136844DTXSID20353823JYZWVEXZUHVDBR-UHFFFAOYSA-NALBB-010436CCG-5752BDBM50080542EBC-03815
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers3 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
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