Basic information
- CAS
1240361-06-1- Standard SMILES
CC(C)(C)OC(=O)Nc1sc2c(c1C(=O)O)CCCC2- InChIKey
CEVUYHUWKGOINS-UHFFFAOYSA-N- Molecular formula
- C14H19NO4S
- Average molar mass
- 297.37 g/mol
- Monoisotopic mass
- 297.10347926
Names & identifiers
- Preferred name
- 2-(((1,1-Dimethylethoxy)carbonyl)amino)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
- English name
- 2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid
- Molecular formula
- C14H19NO4S
- Molecular weight
- 297.37
Names & synonyms
1240361-06-12-(((1,1-Dimethylethoxy)carbonyl)amino)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylic acid2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acidRefChem:2490182-((tert-Butoxycarbonyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acidMFCD194419402-(Boc-amino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acidBenzo[b]thiophene-3-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydro-CEVUYHUWKGOINS-UHFFFAOYSA-N2-[(2-meth
Show more names
EOS-621792-TERT-BUTOXYCARBONY2-(Boc-amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
SCHEMBL12057595DTXSID50724461AKOS015994948DS-58462-[(tert-Butoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acids10497SY040464DB-116348
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Boiling point
- 405.5 · 405.5±45.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 4.61 · 4.61±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers28 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [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]
苏州亚衍医药科技有限公司17715136450 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
成都海品信医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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