[1]benzothiolo[2,3-h]isoquinoline

C15H9NS — CID 14871970

IUPAC[1]benzothiolo[2,3-h]isoquinoline
SMILESc1ccc2c(c1)sc1ccc3ccncc3c12
InChIInChI=1S/C15H9NS/c1-2-4-13-11(3-1)15-12-9-16-8-7-10(12)5-6-14(15)17-13/h1-9H
InChIKeyTZBKYIVIGQHPEA-UHFFFAOYSA-N
MW235.31 g/mol
LogP4.60
Rot. Bonds

About [1]benzothiolo[2,3-h]isoquinoline

[1]benzothiolo[2,3-h]isoquinoline (PubChem CID 14871970) has the molecular formula C15H9NS and a molecular weight of 235.31 g/mol. Its IUPAC name is [1]benzothiolo[2,3-h]isoquinoline.

Molecular Properties

Compound Name[1]benzothiolo[2,3-h]isoquinoline
PubChem CID14871970
Molecular FormulaC15H9NS
Molecular Weight235.31 g/mol
Exact Mass235.05
IUPAC Name[1]benzothiolo[2,3-h]isoquinoline
SMILESc1ccc2c(c1)sc1ccc3ccncc3c12
InChIInChI=1S/C15H9NS/c1-2-4-13-11(3-1)15-12-9-16-8-7-10(12)5-6-14(15)17-13/h1-9H
InChIKeyTZBKYIVIGQHPEA-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine
CID 168746343
8,44-diazadodecacyclo[24.24.0.02,23.03,20.04,17.05,14.06,11.029,50.032,49.035,48.038,47.041,46]pentaconta-1(26),2(23),3(20),4(17),5(14),6(11),7,9,12,15,18,21,24,27,29(50),30,32(49),33,35(48),36,38(47),39,41(46),42,44-pentacosaene
CID 122389532
1H-[1]benzothiolo[2,3-g]indazole
CID 166069972
8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 12534759
2,9-phenanthroline
CID 23271029
10-thiaheptacyclo[15.12.0.02,14.03,11.04,9.018,23.024,29]nonacosa-1(17),2(14),3(11),4,6,8,12,15,18,20,22,24,26,28-tetradecaene
CID 13409695
6-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-h]isoquinoline
CID 174296325
9-thia-14,17,21-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene
CID 163514529
4-isoquinolin-1-yl-8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168745956
2-[3-(3-naphtho[2,1-b][1]benzothiol-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134430175
9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 13284338
23,23-dimethyl-12-thia-5,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene
CID 170363530

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-h]isoquinoline?
The IUPAC name of [1]benzothiolo[2,3-h]isoquinoline (CID 14871970) is [1]benzothiolo[2,3-h]isoquinoline.
What is the SMILES notation for [1]benzothiolo[2,3-h]isoquinoline?
The canonical SMILES for [1]benzothiolo[2,3-h]isoquinoline is c1ccc2c(c1)sc1ccc3ccncc3c12.
What is the InChIKey of [1]benzothiolo[2,3-h]isoquinoline?
The InChIKey is TZBKYIVIGQHPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS/c1-2-4-13-11(3-1)15-12-9-16-8-7-10(12)5-6-14(15)17-13/h1-9H.
What are the key properties of [1]benzothiolo[2,3-h]isoquinoline?
[1]benzothiolo[2,3-h]isoquinoline has a molecular weight of 235.31 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-h]isoquinoline is sourced from PubChem (CID 14871970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).