Basic information
- CAS
401485-19-6- Standard SMILES
CC(C)(C)OC(=O)NCc1cccs1- InChIKey
PJYFEMRXRXRMSS-UHFFFAOYSA-N- Molecular formula
- C10H15NO2S
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 213.08234972
Names & identifiers
- Preferred name
- Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(thiophen-2-ylmethyl)carbamate
- English name
- Carbamic acid, (2-thienylmethyl)-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C10H15NO2S
- Molecular weight
- 213.3
Names & synonyms
401485-19-6Thiophen-2-ylmethyl-carbamic acid tert-butyl estertert-butyl N-(thiophen-2-ylmethyl)carbamatetert-butyl (thiophen-2-ylmethyl)carbamateC10H15NO2SMFCD07127744tert-butyl thiophen-2-ylmethylcarbamateCarbamic acid, (2-thienylmethyl)-, 1,1-dimethylethyl ester (9CI)tert-butyl 2-thienylmethylcarbamatetert-butyl N-[(thiophen-2-yl)methyl]carbamateSCHEMBL1163822SCHEMBL11564698
Show more names
N-Boc-2-thiophenemethylamineN-Boc-2-thiophenemethanamineN-Boc-2-(aminomethyl)thiophenetert-Butyl methyl(thiophen-2-yl)carbamate2-methyl-2-propanyl (2-thienylmethyl)carbamateN-(2-Thienylmethyl)carbamic acid 1,1-dimethylethyl esterCarbamic acid, N-(2-thienylmethyl)-, 1,1-dimethylethyl ester
SCHEMBL19097691PJYFEMRXRXRMSS-UHFFFAOYSA-NDTXSID301382402HMS1700A04tert-butyl-2-thienylmethylcarbamatet-Butyl thiophen-2-ylmethylcarbamateSTL065446AKOS000501385
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 44 · 44-49°C
- Boiling point
- 323.6 · 323.6±25.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- Flash point
- 110 ℃ · >110℃
- storage temp.
- 2 · 2-8°C
- pka
- 11.82 · 11.82±0.46(Predicted)
- form
- solid
- InChI
- 1S/C10H15NO2S/c1-10(2,3)13-9(12)11-7-8-5-4-6-14-8/h4-6H,7H2,1-3H3,(H,11,12)
- InChIKey
- PJYFEMRXRXRMSS-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)NCc1cccs1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers19 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
Related reactions
1 records
Compound notes
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