8-sulfanylquinoline-6-carbonitrile

C10H6N2S — CID 119085830

IUPAC8-sulfanylquinoline-6-carbonitrile
SMILESN#Cc1cc(S)c2ncccc2c1
InChIInChI=1S/C10H6N2S/c11-6-7-4-8-2-1-3-12-10(8)9(13)5-7/h1-5,13H
InChIKeyBBMLWAFFUCQRPQ-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.40
Rot. Bonds

About 8-sulfanylquinoline-6-carbonitrile

8-sulfanylquinoline-6-carbonitrile (PubChem CID 119085830) has the molecular formula C10H6N2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 8-sulfanylquinoline-6-carbonitrile.

Molecular Properties

Compound Name8-sulfanylquinoline-6-carbonitrile
PubChem CID119085830
Molecular FormulaC10H6N2S
Molecular Weight186.24 g/mol
Exact Mass186.03
IUPAC Name8-sulfanylquinoline-6-carbonitrile
SMILESN#Cc1cc(S)c2ncccc2c1
InChIInChI=1S/C10H6N2S/c11-6-7-4-8-2-1-3-12-10(8)9(13)5-7/h1-5,13H
InChIKeyBBMLWAFFUCQRPQ-UHFFFAOYSA-N
XLogP2.40
TPSA36.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,8-naphthyridine-3-carbonitrile
CID 54038594
3-quinolin-8-ylbenzonitrile
CID 4189045
8-[4-(1,1-difluoroethyl)phenoxy]quinoline-6-carbonitrile
CID 168904740
4-[(6-fluoroquinolin-8-yl)methoxy]benzonitrile
CID 38827522
8-hydroxyquinoline-3-carbonitrile
CID 82653167
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
quinoxalino[3,2-f][1,10]phenanthroline-11-carbonitrile
CID 91283468
8-aminoquinoline-3-carbonitrile
CID 131425885
8-aminoquinoline-7-carbonitrile
CID 13439027
3-(quinolin-8-ylmethylamino)benzonitrile
CID 28615937
4-[4-[4,6-bis[3-(1,10-phenanthrolin-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 137484596
6-azapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16,18,20-undecaene-10,11-dicarbonitrile
CID 139436457

Frequently Asked Questions

What is the IUPAC name of 8-sulfanylquinoline-6-carbonitrile?
The IUPAC name of 8-sulfanylquinoline-6-carbonitrile (CID 119085830) is 8-sulfanylquinoline-6-carbonitrile.
What is the SMILES notation for 8-sulfanylquinoline-6-carbonitrile?
The canonical SMILES for 8-sulfanylquinoline-6-carbonitrile is N#Cc1cc(S)c2ncccc2c1.
What is the InChIKey of 8-sulfanylquinoline-6-carbonitrile?
The InChIKey is BBMLWAFFUCQRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S/c11-6-7-4-8-2-1-3-12-10(8)9(13)5-7/h1-5,13H.
What are the key properties of 8-sulfanylquinoline-6-carbonitrile?
8-sulfanylquinoline-6-carbonitrile has a molecular weight of 186.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-sulfanylquinoline-6-carbonitrile is sourced from PubChem (CID 119085830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).