Name: Name:3-chloro-5-(thiophen-3-yl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
Brand: Angene
SKU: AG01A7VJ
Rating: 90 (10 reviews)

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

CAS No.:

1155055-78-9

Catalog Number:

AG01A7VJ

Molecular Formula:

C14H11ClN2S2

Molecular Weight:

306.8335

Catalog Number:

AG01A7VJ

Chemical Name:

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

CAS Number:

1155055-78-9

Molecular Formula:

C14H11ClN2S2

Molecular Weight:

306.8335

MDL Number:

MFCD12589396

IUPAC Name:

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

InChI:

InChI=1S/C14H11ClN2S2/c15-12-11-9-3-1-2-4-10(9)19-14(11)17-13(16-12)8-5-6-18-7-8/h5-7H,1-4H2

InChI Key:

NTQDLGSYJCGYCE-UHFFFAOYSA-N

SMILES:

Clc1nc(nc2c1c1CCCCc1s2)c1cscc1

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

306.005g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

306.826g/mol

Monoisotopic Mass:

306.005g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1