Name: Name:3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
Brand: Angene
SKU: AG01A7XU
Rating: 90 (10 reviews)

3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene

CAS No.:

462066-13-3

Catalog Number:

AG01A7XU

Molecular Formula:

C13H13ClN2S

Molecular Weight:

264.7737

Catalog Number:

AG01A7XU

Chemical Name:

3-chloro-5-cyclopropyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene

CAS Number:

462066-13-3

Molecular Formula:

C13H13ClN2S

Molecular Weight:

264.7737

MDL Number:

MFCD17167125

IUPAC Name:

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

InChI:

InChI=1S/C13H13ClN2S/c14-11-10-8-3-1-2-4-9(8)17-13(10)16-12(15-11)7-5-6-7/h7H,1-6H2

InChI Key:

IQOOKMNKIJCWAB-UHFFFAOYSA-N

SMILES:

Clc1nc(nc2c1c1CCCCc1s2)C1CC1

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.771g/mol

Monoisotopic Mass:

264.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3