Name: Name:[1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-2-(3-pyridinyl)-
Brand: Angene
SKU: AG000XXP
Rating: 90 (10 reviews)

[1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-2-(3-pyridinyl)-

CAS No.:

128277-24-7

Catalog Number:

AG000XXP

Molecular Formula:

C15H12ClN3S

Molecular Weight:

301.7939

Catalog Number:

AG000XXP

Chemical Name:

[1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-2-(3-pyridinyl)-

CAS Number:

128277-24-7

Molecular Formula:

C15H12ClN3S

Molecular Weight:

301.7939

MDL Number:

MFCD20693475

IUPAC Name:

4-chloro-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

InChI:

InChI=1S/C15H12ClN3S/c16-13-12-10-5-1-2-6-11(10)20-15(12)19-14(18-13)9-4-3-7-17-8-9/h3-4,7-8H,1-2,5-6H2

InChI Key:

ISKGKMVCOYALTM-UHFFFAOYSA-N

SMILES:

Clc1nc(nc2c1c1CCCCc1s2)c1cccnc1

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.792g/mol

Monoisotopic Mass:

301.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3