4-Chlorothieno[2,3-D]pyrimidine

C6H3ClN2SCAS 14080-59-2170.61 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
14080-59-2
SMILES
C1=CSC2=C1C(=NC=N2)Cl
InChIKey
NZCRUBBNZGVREM-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H

Weigh it out

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

Work with 4-Chlorothieno[2,3-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[2,3-d]pyrimidine18740-39-153 % similar 4-Chlorothieno[3,2-c]pyridine27685-94-552 % similar 4-Chloro-quinazoline5190-68-150 % similar 4-Chloro-2-methylthieno[2,3-d]pyrimidine56843-79-948 % similar 4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-844 % similar 6-Bromo-4-chlorothieno[2,3-D]pyrimidine56844-12-344 % similar 6-Bromo-4-chloro-quinazoline38267-96-843 % similar 5-Amino-4,6-dichloropyrimidine5413-85-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chlorothieno[3,2-D]pyrimidine16269-66-2 5-Chlorobenzo-2,1,3-thiadiazole2207-32-1

Elsewhere

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