Basic information
- CAS
1432581-09-3- Standard SMILES
Cc1nc(C)c(C(=O)/C=C/N(C)C)s1- InChIKey
NCHMJHFUGUCVFT-AATRIKPKSA-N- Molecular formula
- C10H14N2OS
- Average molar mass
- 210.3 g/mol
- Monoisotopic mass
- 210.08268425
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one
- IUPAC
- (E)-3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one
- English name
- 3-(Dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-one
- Molecular formula
- C10H14N2OS
- Molecular weight
- 210.3
Names & synonyms
1432581-09-33-(Dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-oneMFCD021798971-(DIMETHYL-1,3-THIAZOL-5-YL)-3-(DIMETHYLAMINO)PROP-2-EN-1-ONE(E)-3-(dimethylamino)-1-(2,4-dimethylthiazol-5-yl)prop-2-en-1-one(2E)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one(E)-3-(dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-en-1-oneSCHEMBL14955176AKOS013062502AS-8009CS-0446249H58616
Show more names
2-Propen-1-one, 3-(dimethylamino)-1-(2,4-dimethyl-5-thiazolyl)-, (2E)-
EN300-1125918
Database identifiers
- CAS
1432581-09-3- PubChem CID
- 15521980
- Nikkaji
- J2.970.362K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 75 · 75-77 °C
- Boiling point
- 320.398 · 320.398±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.127 · 1.127±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.73 · 4.730±0.70(predicted)
- 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
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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