Name: Name:[1]Benzothieno[2,3-d]pyrimidine,4-chloro-5,6,7,8-tetrahydro-2-methyl-
Brand: Angene
SKU: AG0056YC
Rating: 90 (10 reviews)

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

CAS No.:

81765-97-1

Catalog Number:

AG0056YC

Molecular Formula:

C11H11ClN2S

Molecular Weight:

238.7364

Catalog Number:

AG0056YC

Chemical Name:

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

CAS Number:

81765-97-1

Molecular Formula:

C11H11ClN2S

Molecular Weight:

238.7364

MDL Number:

MFCD00458475

IUPAC Name:

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

InChI:

InChI=1S/C11H11ClN2S/c1-6-13-10(12)9-7-4-2-3-5-8(7)15-11(9)14-6/h2-5H2,1H3

InChI Key:

VBBUCJFANWYVMU-UHFFFAOYSA-N

SMILES:

Cc1nc(Cl)c2c(n1)sc1c2CCCC1

NSC Number:

153328

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.733g/mol

Monoisotopic Mass:

238.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1