Basic information
- CAS
34772-98-0- Standard SMILES
CN(C)/C=C/C(=O)c1cccs1- InChIKey
NXYSVZGMDFMOJJ-AATRIKPKSA-N- Molecular formula
- C9H11NOS
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.05613515
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(thiophen-2-yl)prop-2-en-1-one
- IUPAC
- (E)-3-(dimethylamino)-1-thiophen-2-ylprop-2-en-1-one
- English name
- (E)-3-Dimethylamino-1-thiophen-2-yl-propenone
- Molecular formula
- C9H11NOS
- Molecular weight
- 181.25
Names & synonyms
3-(dimethylamino)-1-(thiophen-2-yl)prop-2-en-1-one154321-55-834772-98-0(E)-3-(dimethylamino)-1-(thiophen-2-yl)prop-2-en-1-one(E)-3-DIMETHYLAMINO-1-THIOPHEN-2-YL-PROPENONEMFCD00172112(E)-3-(dimethylamino)-1-thiophen-2-ylprop-2-en-1-one(2E)-3-(dimethylamino)-1-(2-thienyl)prop-2-en-1-one3-(DIMETHYLAMINO)-1-THIEN-2-YLPROP-2-EN-1-ONE2-PROPEN-1-ONE, 3-(DIMETHYLAMINO)-1-(2-THIENYL)-, (2E)-(E)-3-Dimethylamino-1-(thien-2-yl)-2-propen-1-one265103-28-4
Show more names
1-(2-Thienyl)-3-(dimethylamino)-2-propen-1-one
(Z)-3-(dimethylamino)-1-(thiophen-2-yl)prop-2-en-1-one(2E)-3-(dimethylamino)-1-(thiophen-2-yl)prop-2-en-1-oneINDIP-002(E)-3-Dimethylamino-1-(2-thienyl)prop-2-en-1-oneSCHEMBL2051425HMS1668I03ALBB-017233AKOS005077381
Database identifiers
- CAS
34772-98-0- PubChem CID
- 712110
- EC Number
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 197 · 197-198℃ (1,4-dioxane )
- storage temp.
- 2 · 2-8°C
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2921290090 · 2921290090
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
- hs_code
- 2921290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers28 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [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]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
甘肃德通医药化学技术有限公司18993961550 18993966060 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…