6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride

C16H12ClNS — CID 143017928

IUPAC6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride
SMILESC1=Nc2ccccc2Cc2sc3ccccc3c21.Cl
InChIInChI=1S/C16H11NS.ClH/c1-3-7-14-11(5-1)9-16-13(10-17-14)12-6-2-4-8-15(12)18-16;/h1-8,10H,9H2;1H
InChIKeyZAYHFAGANLLUAF-UHFFFAOYSA-N
MW285.80 g/mol
LogP4.98
Rot. Bonds

About 6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride

6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride (PubChem CID 143017928) has the molecular formula C16H12ClNS and a molecular weight of 285.80 g/mol. Its IUPAC name is 6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride.

Molecular Properties

Compound Name6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride
PubChem CID143017928
Molecular FormulaC16H12ClNS
Molecular Weight285.80 g/mol
Exact Mass285.04
IUPAC Name6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride
SMILESC1=Nc2ccccc2Cc2sc3ccccc3c21.Cl
InChIInChI=1S/C16H11NS.ClH/c1-3-7-14-11(5-1)9-16-13(10-17-14)12-6-2-4-8-15(12)18-16;/h1-8,10H,9H2;1H
InChIKeyZAYHFAGANLLUAF-UHFFFAOYSA-N
XLogP4.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11H-benzo[c][1]benzazepine;hydrochloride
CID 67058686
1H-thiopyrano[3,4-b][1]benzothiole
CID 141092483
3-methyl-3H-[1]benzothiolo[2,3-e][1,4]diazepine
CID 142468841
2-bromo-3-methyl-3,4-dihydrodibenzothiophene
CID 146554864
3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole
CID 154337332
dibenzothiophene;methane
CID 162233710
[1]benzothiolo[3,2-c][1,2]thiazole
CID 14933191
bis(dibenzothiophene);ethane
CID 143921746
2-nitro-3,4-dihydrodibenzothiophene
CID 146764881
1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
CID 11355956
thiochromeno[3,4-c][1,2,5]thiadiazol-4-one
CID 768412
2,3-dihydrocyclopenta[b][1]benzothiol-1-one
CID 57349543

Frequently Asked Questions

What is the IUPAC name of 6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride?
The IUPAC name of 6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride (CID 143017928) is 6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride.
What is the SMILES notation for 6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride?
The canonical SMILES for 6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride is C1=Nc2ccccc2Cc2sc3ccccc3c21.Cl.
What is the InChIKey of 6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride?
The InChIKey is ZAYHFAGANLLUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NS.ClH/c1-3-7-14-11(5-1)9-16-13(10-17-14)12-6-2-4-8-15(12)18-16;/h1-8,10H,9H2;1H.
What are the key properties of 6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride?
6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride has a molecular weight of 285.80 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-[1]benzothiolo[3,2-c][1]benzazepine;hydrochloride is sourced from PubChem (CID 143017928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).