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5-Phenylthieno[2,3-d]pyrimidin-4(1H)-one

5-Phenylthieno[2,3-d]pyrimidin-4(1H)-one structure

CAS No:
35978-39-3
Formula:
C12H8N2OS
Chemical Name:
5-Phenylthieno[2,3-d]pyrimidin-4(1H)-one
Synonyms:
Thieno[2,3-d]pyrimidin-4(1H)-one,5-phenyl-;Thieno[2,3-d]pyrimidin-4-ol,5-phenyl-;5-Phenylthieno[2,3-d]pyrimidin-4(1H)-one;17417-69-5
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Off-white fluffy solid

5-Phenylthieno[2,3-d]pyrimidin-4(1H)-one Basic Attributes

Molecular Weight：

228.274

Exact Mass：

228.27

DSSTox ID：

DTXSID50189531

HScode：

2934999090

Characteristics

PSA：

69.7

XLogP3：

3.06390

Density：

1.41g/cm3

Melting Point：

216 °C @ Solvent: Methanol

Boiling Point：

460.4ºC at 760mmHg

Flash Point：

232.3ºC

Refractive Index：

1.737

Safety Information

hazard class code：

20/21/22

safety instructions：

24/25-36/37

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

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:228.27
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:228.03573406
Monoisotopic Mass:228.03573406
Topological Polar Surface Area:69.7
Heavy Atom Count:16
Complexity:312
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Phenylthieno[2,3-d]pyrimidin-4(1H)-one

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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5-Phenylthieno[2,3-d]pyrimidin-4(1H)-one

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