Basic information
- CAS
730951-35-6- Standard SMILES
C=CCOC(=O)c1sc(NC(=O)CCl)c(C(=O)OCC)c1C- InChIKey
YOFMEQOUFWTHOZ-UHFFFAOYSA-N- Molecular formula
- C14H16ClNO5S
- Average molar mass
- 345.8 g/mol
- Monoisotopic mass
- 345.0437715
Names & identifiers
- Preferred name
- 4-Ethyl 2-prop-2-en-1-yl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate
- IUPAC
- 4-O-ethyl 2-O-prop-2-enyl 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
- English name
- 5-(2-Chloro-acetylamino)-3-methyl-thiophene-2,4-dicarboxylic acid 2-allyl ester 4-ethyl ester
- Molecular formula
- C14H16ClNO5S
- Molecular weight
- 345.8
Names & synonyms
730951-35-64-ethyl 2-prop-2-en-1-yl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylateRefChem:522698984-985-05-(2-Chloro-acetylamino)-3-methyl-thiophene-2,4-dicarboxylic acid 2-allyl ester 4-ethyl ester4-Ethyl 2-(2-propen-1-yl) 5-[(2-chloroacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate4-O-ethyl 2-O-prop-2-enyl 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate2-Allyl 4-Ethyl 5-(2-Chloroacetamido)-3-methylthiophene-2,4-dicarboxylateC14H16ClNO5SMFCD04621693SBB078069AKOS001042301
Show more names
2,4-Thiophenedicarboxylic acid, 5-[(2-chloroacetyl)amino]-3-methyl-, 4-ethyl 2-(2-propen-1-yl) ester
SY134898CS-0220267EN300-06221G38516F643021Z569437804-Ethyl 2-allyl 5-[(2-chloro-acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate4-ethyl2-prop-2-en-1-yl5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 510.2 · 510.2±50.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 11.52 · 11.52±0.70(Predicted)
- Appearance
- White to off-white Solid
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
Suppliers3 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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