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2,5-Diaminothiophene-3,4-dicarboxylicaciddiethylester

2,5-Diaminothiophene-3,4-dicarboxylicaciddiethylester structure

CAS No:
80691-81-2
Formula:
C10H14N2O4S
Chemical Name:
2,5-Diaminothiophene-3,4-dicarboxylicaciddiethylester
Synonyms:
diethyl 2,5-diaminothiophene-3,4-dicarboxylate;2,5-DIAMINOTHIOPHENE-3,4-DICARBOXYLIC ACID DIETHYL ESTER;MLS000391988;2,5-diamino-thiophene-3,4-dicarboxylic acid diethyl ester;SMR000102508;CBDivE_006574;SCHEMBL223094;cid_840025;CHEMBL1577887;BDBM34655

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2,5-Diaminothiophene-3,4-dicarboxylicaciddiethylester Basic Attributes

Molecular Weight：

258.29400

Exact Mass：

258.06700

DSSTox ID：

DTXSID20357003

HScode：

2934999090

Characteristics

PSA：

132.88000

XLogP3：

2.42830

Density：

1.343g/cm3

Melting Point：

155-156 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))

Boiling Point：

403.3ºC at 760 mmHg

Flash Point：

197.7ºC

Refractive Index：

1.601

Water Solubility：

29.9 [ug/mL]

Computed Properties

Molecular Weight:258.30
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:258.06742811
Monoisotopic Mass:258.06742811
Topological Polar Surface Area:133
Heavy Atom Count:17
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-Diaminothiophene-3,4-dicarboxylicaciddiethylester

Basic Attributes
Characteristics
Computed Properties

2,5-Diaminothiophene-3,4-dicarboxylicaciddiethylester

SDS

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