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4-(BENZOTHIAZOL-2-YLSULFANYL)-BUTYRICACID

4-(BENZOTHIAZOL-2-YLSULFANYL)-BUTYRICACID structure

CAS No:
80357-74-0
Formula:
C11H11NO2S2
Chemical Name:
4-(BENZOTHIAZOL-2-YLSULFANYL)-BUTYRICACID
Synonyms:
4-(Benzothiazol-2-ylsulfanyl)-butyric acid;4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid;NSC163173;4-benzothiazol-2-ylthiobutanoic acid;NSC-163173;butanoic acid, 4-(2-benzothiazolylthio)-;4-(benzo[d]thiazol-2-ylthio)butanoic acid;4-(2-Benzothiazolylthio)-Butyric Acid;NCIStruc1_000724;NCIStruc2_000896

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4-(BENZOTHIAZOL-2-YLSULFANYL)-BUTYRICACID Basic Attributes

Molecular Weight：

253.334

Exact Mass：

253.02300

NSC Number：

163173

DSSTox ID：

DTXSID60303882

HScode：

2934200090

Characteristics

PSA：

103.73000

XLogP3：

3.25320

Density：

1.39g/cm3

Boiling Point：

461.6ºC at 760 mmHg

Flash Point：

233ºC

Refractive Index：

1.678

Computed Properties

Molecular Weight:253.3
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:253.02312094
Monoisotopic Mass:253.02312094
Topological Polar Surface Area:104
Heavy Atom Count:16
Complexity:250
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(BENZOTHIAZOL-2-YLSULFANYL)-BUTYRICACID

Basic Attributes
Characteristics
Computed Properties

4-(BENZOTHIAZOL-2-YLSULFANYL)-BUTYRICACID

SDS

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