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ETHYL 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE

ETHYL 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE structure

CAS No:
168279-54-7
Formula:
C12H14O3S2
Chemical Name:
ETHYL 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
Synonyms:
4,5,6,7-tetrahydro-3-methylthio-4-oxobenzo[c]thiophene-1-carboxylic Acid Ethyl Ester; ethyl 4,5,6,7-tetrahydro-3-methylsulfanyl-4-oxobenzo[c]thiophene-1-carboxylate; RARECHEM AK MA K006; 1-ethoxycarbonyl-3-methylthio-4,5,6,7-tetrahydro benzothiophene-4-one; ethyl 3-(Methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2- benzothiophene-1-carboxylate; 3-methylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid ethyl ester; Ethyl 4,5,6,7-tetrahydro-3-methylthio-4-oxobenzo[c]thiophene-1-carboxylate; BUTTPARK 334-64; ethyl 3-(methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-nbenzothiophene-1-carboxylate;Expand

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Description

3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester is a thiophenecarboxylic acid.

ETHYL 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE Basic Attributes

Molecular Weight：

270.36800

Exact Mass：

270.03843665

HScode：

2934999090

Characteristics

PSA：

96.91000

XLogP3：

3.16570

Density：

1.31g/cm3

Melting Point：

108ºC

Boiling Point：

446.1ºC at 760 mmHg

Flash Point：

223.6ºC

Refractive Index：

1.594

Vapor Pressure：

3.74E-08mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26

Marks：

Computed Properties

Molecular Weight:270.4
XLogP3:3.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:270.03843665
Monoisotopic Mass:270.03843665
Topological Polar Surface Area:96.9
Heavy Atom Count:17
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ETHYL 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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