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3-ALLYL-2-MERCAPTO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

3-ALLYL-2-MERCAPTO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE structure

CAS No:
113520-01-7
Formula:
C12H12N2OS2
Chemical Name:
3-ALLYL-2-MERCAPTO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
Synonyms:
5-ALLYL-6-MERCAPTO-1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-ONE;4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 3,5,6,7-TETRAHYDRO-2-MERCAPTO-3-(2-PROPENYL)-;3-ALLYL-2-SULFANYL-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE;3-ALLYL-2-MERCAPTO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

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3-ALLYL-2-MERCAPTO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE Basic Attributes

Molecular Weight：

264.37

Exact Mass：

264.03900

DSSTox ID：

DTXSID30356401

HScode：

2934999090

Characteristics

PSA：

92.7

XLogP3：

2.42140

Density：

1.43g/cm3

Melting Point：

210-211℃

Boiling Point：

448.5ºC at 760mmHg

Flash Point：

225ºC

Refractive Index：

1.714

Vapor Pressure：

3.09E-08mmHg at 25°C

Computed Properties

Molecular Weight:264.4
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:264.03910536
Monoisotopic Mass:264.03910536
Topological Polar Surface Area:92.7
Heavy Atom Count:17
Complexity:385
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-ALLYL-2-MERCAPTO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

Basic Attributes
Characteristics
Computed Properties

3-ALLYL-2-MERCAPTO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

SDS

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