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1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one structure

CAS No:
40106-31-8
Formula:
C11H12N2OS
Chemical Name:
1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Synonyms:
4H-Cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one,1,5,6,7,8,9-hexahydro-;1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Categories:
Organic Chemistry > Heterocyclic Ring

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1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one Basic Attributes

Molecular Weight：

220.29 g/mol

Exact Mass：

220.29

DSSTox ID：

DTXSID70193150

Characteristics

PSA：

69.7 Å²

Melting Point：

209-211 °C @ Solvent: Ethanol

Water Solubility：

19.9 [ug/mL]

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:220.29
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:220.06703418
Monoisotopic Mass:220.06703418
Topological Polar Surface Area:69.7
Heavy Atom Count:15
Complexity:305
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

CAS No.: 40106-31-8

Grade: Industrial Grade

Content: 99%

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INCANINE

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25928-94-3
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METHYL5-BROMO-2-IODOBENZOATE Formula

181765-86-6
5β-Cholestane Formula

481-20-9
4,5-Dimethyl-2(3H)-thiazolethione Structure

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Guide of 1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

Basic Attributes
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