4-Chlorothieno[3,2-D]pyrimidine

C6H3ClN2SCAS 16269-66-2170.61 g/mol

Open in Covalent MOL file
SNNCl
Aryl halide

Properties

Molecular formula
C6H3ClN2S
Molar mass
170.61 g/mol
Exact mass
169.9705 Da
logP
2.34Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number
16269-66-2
SMILES
C1=CSC2=C1N=CN=C2Cl
InChIKey
TWTODSLDHCDLDR-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Chlorothieno[3,2-D]pyrimidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dichlorothieno[3,2-D]pyrimidine16234-14-353 % similar 7-Chlorothieno[3,2-B]pyridine69627-03-852 % similar 4-Chloro-quinazoline5190-68-150 % similar 4-Chloro-6-iodo-thieno[3,2-D]pyrimidine225382-62-747 % similar 6-Bromo-4-chlorothieno(3,2-d)pyrimidine225385-03-547 % similar 4-Chloro-7-methylthieno(3,2-d)pyrimidine175137-21-043 % similar 7-Bromo-4-chlorothieno[3,2-D]pyrimidine31169-27-443 % similar 6-Bromo-4-chloro-quinazoline38267-96-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chlorothieno[2,3-D]pyrimidine14080-59-2 5-Chlorobenzo-2,1,3-thiadiazole2207-32-1

Elsewhere

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