Basic information
- CAS
68746-25-8- Standard SMILES
CC(C)(C)C1CCc2c(sc(N)c2C(N)=O)C1- InChIKey
LBXIAHFWOUNFCV-UHFFFAOYSA-N- Molecular formula
- C13H20N2OS
- Average molar mass
- 252.38 g/mol
- Monoisotopic mass
- 252.12963444
Names & identifiers
- Preferred name
- 2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- English name
- 2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- Molecular formula
- C13H20N2OS
- Molecular weight
- 252.38
Names & synonyms
68746-25-82-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideDTXSID20346952RefChem:464813DTXCID80298024887-690-42-amino-6-(tert-butyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamideMFCD01114966Oprea1_225276MLS000075104CHEMBL1505295SBB009173
Show more names
SMR000013971
IDI1_0333252-Amino-6-tert-butyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amideAK-968/37129031Benzothiophene-3-carboxamide, 4,5,6,7-tetrahydro-2-amino-6-tert-butyl-LBXIAHFWOUNFCV-UHFFFAOYSA-NBAS 068564232-Amino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamideTimTec1_007671
Database identifiers
- CAS
68746-25-8- PubChem CID
- 616673
- DTXSID
DTXSID20346952- ChEMBL
CHEMBL1505295- EC Number
- 887-690-4
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 363.8 · 363.8±42.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 15.7 · 15.70±0.40(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+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%)
Chemistry & industry
Suppliers18 total
韶远科技(上海)有限公司4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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