Name: Name:[1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-2-[(phenylthio)methyl]-
Brand: Angene
SKU: AG000XXQ
Rating: 90 (10 reviews)

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

CAS No.:

128277-14-5

Catalog Number:

AG000XXQ

Molecular Formula:

C17H15ClN2S2

Molecular Weight:

346.8974

Catalog Number:

AG000XXQ

Chemical Name:

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

CAS Number:

128277-14-5

Molecular Formula:

C17H15ClN2S2

Molecular Weight:

346.8974

MDL Number:

MFCD03949017

IUPAC Name:

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

InChI:

InChI=1S/C17H15ClN2S2/c18-16-15-12-8-4-5-9-13(12)22-17(15)20-14(19-16)10-21-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2

InChI Key:

DDKXLNWDGWPPCD-UHFFFAOYSA-N

SMILES:

Clc1nc(CSc2ccccc2)nc2c1c1CCCCc1s2

Complexity:

378

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.891g/mol

Monoisotopic Mass:

346.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.8