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2-Chloro-5-methylthieno[2,3-d]pyrimidine

2-Chloro-5-methylthieno[2,3-d]pyrimidine - CAS 83259-31-8

Catalog:	BB036996
Product Name:	2-Chloro-5-methylthieno[2,3-d]pyrimidine
CAS:	83259-31-8
Synonyms:	2-chloro-5-methylthieno[2,3-d]pyrimidine; 2-chloro-5-methylthieno[2,3-d]pyrimidine

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-chloro-5-methylthieno[2,3-d]pyrimidine
Description:	2-Chloro-5-methylthieno[2,3-d]pyrimidine (CAS# 83259-31-8) is a useful research chemical.
Molecular Weight:	184.65
Molecular Formula:	C7H5ClN2S
Canonical SMILES:	CC1=CSC2=NC(=NC=C12)Cl
InChI:	InChI=1S/C7H5ClN2S/c1-4-3-11-6-5(4)2-9-7(8)10-6/h2-3H,1H3
InChI Key:	MPEUVNBNQLDAON-UHFFFAOYSA-N
Density:	1.445 g/cm³
LogP:	2.65310

Publication Number	Title	Priority Date
TW-202045501-A	Bicyclic ether o-glycoprotein-2-acetamido-2-de oxy-3-d-glucopyranosidase inhibitors	20190204
KR-102136628-B1	Polycyclic substituted pyrazole kinase activity inhibitors and use thereof	20130108
AU-2007328267-A1	Substituted diazepan compounds as orexin receptor antagonists	20061201
AU-2007328267-B2	Substituted diazepan compounds as orexin receptor antagonists	20061201
AU-2010249269-A1	Substituted diazepan compounds as orexin receptor antagonists	20061201

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.986197
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.986197
Rotatable Bond Count:	0
Topological Polar Surface Area:	54
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9