Name: Name:4-CHLORO-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[4,5]THIENO[2,3-D]PYRIMIDINE
Brand: Angene
SKU: AG00BXDP
Rating: 90 (10 reviews)

4-CHLORO-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[4,5]THIENO[2,3-D]PYRIMIDINE

CAS No.:

40106-58-9

Catalog Number:

AG00BXDP

Molecular Formula:

C11H11ClN2S

Molecular Weight:

238.7364

Catalog Number:

AG00BXDP

Chemical Name:

4-CHLORO-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[4,5]THIENO[2,3-D]PYRIMIDINE

CAS Number:

40106-58-9

Molecular Formula:

C11H11ClN2S

Molecular Weight:

238.7364

MDL Number:

MFCD05865130

IUPAC Name:

3-chloro-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene

InChI:

InChI=1S/C11H11ClN2S/c12-10-9-7-4-2-1-3-5-8(7)15-11(9)14-6-13-10/h6H,1-5H2

InChI Key:

AUYMUMFPLSANID-UHFFFAOYSA-N

SMILES:

Clc1ncnc2c1c1CCCCCc1s2

Complexity:

239

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:

4.3