1H-azepine;9H-thioxanthene

C19H17NS — CID 174889016

IUPAC1H-azepine;9H-thioxanthene
SMILESC1=CC=CNC=C1.c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C13H10S.C6H7N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-4-6-7-5-3-1/h1-8H,9H2;1-7H
InChIKeyBWSDAZDHIPTBCO-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.92
Rot. Bonds

About 1H-azepine;9H-thioxanthene

1H-azepine;9H-thioxanthene (PubChem CID 174889016) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1H-azepine;9H-thioxanthene.

Molecular Properties

Compound Name1H-azepine;9H-thioxanthene
PubChem CID174889016
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name1H-azepine;9H-thioxanthene
SMILESC1=CC=CNC=C1.c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C13H10S.C6H7N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-4-6-7-5-3-1/h1-8H,9H2;1-7H
InChIKeyBWSDAZDHIPTBCO-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

copper;9H-thioxanthene
CID 174315063
dioxotitanium;9H-thioxanthene
CID 174580063
bis(oxygen(2-));9H-thioxanthene;titanium(4+)
CID 158702616
sulfamide;9H-thioxanthene
CID 174799944
N-methyl-9H-thioxanthen-2-amine
CID 175177494
10,12-dihydrobenzo[b][1,6]benzothiazocin-11-one
CID 13112891
diphenyl(9H-thioxanthen-2-yl)sulfanium
CID 150245404
1-propan-2-yl-9H-thioxanthene
CID 23368911
1H-azepine;2,3-dihydro-1H-indole
CID 159350025
4-(9H-thioxanthen-2-yl)benzenethiol
CID 175983753
1H-azepine;9H-fluorene-2-carboxylic acid
CID 174434519
bis(9H-thioxanthen-1-yl)methanone
CID 67045780

Frequently Asked Questions

What is the IUPAC name of 1H-azepine;9H-thioxanthene?
The IUPAC name of 1H-azepine;9H-thioxanthene (CID 174889016) is 1H-azepine;9H-thioxanthene.
What is the SMILES notation for 1H-azepine;9H-thioxanthene?
The canonical SMILES for 1H-azepine;9H-thioxanthene is C1=CC=CNC=C1.c1ccc2c(c1)Cc1ccccc1S2.
What is the InChIKey of 1H-azepine;9H-thioxanthene?
The InChIKey is BWSDAZDHIPTBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S.C6H7N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-4-6-7-5-3-1/h1-8H,9H2;1-7H.
What are the key properties of 1H-azepine;9H-thioxanthene?
1H-azepine;9H-thioxanthene has a molecular weight of 291.42 g/mol, XLogP of 4.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;9H-thioxanthene is sourced from PubChem (CID 174889016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).