11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline

C15H10ClNS — CID 162410994

IUPAC11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline
SMILESClC12C=CC=CC1=CN=C1c3ccccc3SC12
InChIInChI=1S/C15H10ClNS/c16-15-8-4-3-5-10(15)9-17-13-11-6-1-2-7-12(11)18-14(13)15/h1-9,14H
InChIKeyODJGZSANNTXRKS-UHFFFAOYSA-N
MW271.77 g/mol
LogP3.95
Rot. Bonds

About 11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline

11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline (PubChem CID 162410994) has the molecular formula C15H10ClNS and a molecular weight of 271.77 g/mol. Its IUPAC name is 11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline.

Molecular Properties

Compound Name11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline
PubChem CID162410994
Molecular FormulaC15H10ClNS
Molecular Weight271.77 g/mol
Exact Mass271.02
IUPAC Name11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline
SMILESClC12C=CC=CC1=CN=C1c3ccccc3SC12
InChIInChI=1S/C15H10ClNS/c16-15-8-4-3-5-10(15)9-17-13-11-6-1-2-7-12(11)18-14(13)15/h1-9,14H
InChIKeyODJGZSANNTXRKS-UHFFFAOYSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 162412952
CID 162412952
5-Cyclohex-2-en-1-yl-1,4-benzothiazepine
CID 67015146
6-Chloro-4a,11a-dihydrobenzo[b][1,4]benzothiazepine
CID 70858452
2,4-Dichloro-4,4a-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 130222584
8-Thia-11,14-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,6,9,11,12-heptaene
CID 138639566
8-Thia-14-azatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,6,9,11,12-heptaene
CID 138657720
8-Thia-10,14-diazatricyclo[7.5.0.02,7]tetradeca-1(14),2,4,6,9,11,12-heptaene
CID 139574579
9-[2-(2,7,8,9-tetrahydro-1H-fluoren-9-ylsulfanyl)phenyl]-3,4,5,6,7,8-hexahydro-2H-azonine
CID 142160712
9-Chloro-4-ethenyl-3,12-dithia-5-azatetracyclo[9.7.0.02,7.013,18]octadeca-1,4,6,8,10,13,15,17-octaene
CID 142832412
1-methylidene-N-(2-methylpropyl)-1-benzothiophen-3-imine
CID 144922811
4-chloro-2,3-dimethyl-2H-[1]benzothiolo[3,2-d]pyrimidine
CID 145349195
(2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine
CID 166700830

Frequently Asked Questions

What is the IUPAC name of 11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline?
The IUPAC name of 11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline (CID 162410994) is 11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline.
What is the SMILES notation for 11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline?
The canonical SMILES for 11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline is ClC12C=CC=CC1=CN=C1c3ccccc3SC12.
What is the InChIKey of 11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline?
The InChIKey is ODJGZSANNTXRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNS/c16-15-8-4-3-5-10(15)9-17-13-11-6-1-2-7-12(11)18-14(13)15/h1-9,14H.
What are the key properties of 11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline?
11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline has a molecular weight of 271.77 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline is sourced from PubChem (CID 162410994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).