(6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol

C15H14OS — CID 59925080

IUPAC(6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol
SMILESCc1ccc2c(c1)Sc1ccccc1[C@@H](O)C2
InChIInChI=1S/C15H14OS/c1-10-6-7-11-9-13(16)12-4-2-3-5-14(12)17-15(11)8-10/h2-8,13,16H,9H2,1H3/t13-/m0/s1
InChIKeyZOJIJZIFMJDIBO-ZDUSSCGKSA-N
MW242.34 g/mol
LogP3.74
Rot. Bonds

About (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol

(6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol (PubChem CID 59925080) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol.

Molecular Properties

Compound Name(6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol
PubChem CID59925080
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name(6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol
SMILESCc1ccc2c(c1)Sc1ccccc1[C@@H](O)C2
InChIInChI=1S/C15H14OS/c1-10-6-7-11-9-13(16)12-4-2-3-5-14(12)17-15(11)8-10/h2-8,13,16H,9H2,1H3/t13-/m0/s1
InChIKeyZOJIJZIFMJDIBO-ZDUSSCGKSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-N-(methoxymethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carboxamide
CID 139933048
5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile
CID 154099953
ethane;5-methyl-5,6-dihydrobenzo[b][1]benzothiepine
CID 90870918
2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
CID 3055927
(5R)-2-[3-(dimethylamino)propoxy]-5,6-dihydrobenzo[b][1]benzothiepin-5-ol
CID 124852362
9-fluoro-3-(1-hydroxypropan-2-yl)-5,6-dihydrobenzo[b][1]benzothiepin-5-ol
CID 14690736
(5R)-5-chloro-5,6-dihydrobenzo[b][1]benzothiepine
CID 86310640
(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25399675
1-[(6R)-2-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-4-methylpiperazine-1,4-diium
CID 6947921
3,5-dimethyl-6H-benzo[b][1]benzothiepin-5-ol
CID 69166098
9-[4,16-bis[(4-methylphenyl)sulfanyl]-2-tricyclo[9.5.0.03,9]hexadeca-1(11),2,4,9,15-pentaenyl]-9H-thioxanthene
CID 102076254
(9S)-9-(benzenesulfonyl)-2-methyl-9H-thioxanthene
CID 1186925

Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol?
The IUPAC name of (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol (CID 59925080) is (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol.
What is the SMILES notation for (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol?
The canonical SMILES for (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol is Cc1ccc2c(c1)Sc1ccccc1[C@@H](O)C2.
What is the InChIKey of (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol?
The InChIKey is ZOJIJZIFMJDIBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14OS/c1-10-6-7-11-9-13(16)12-4-2-3-5-14(12)17-15(11)8-10/h2-8,13,16H,9H2,1H3/t13-/m0/s1.
What are the key properties of (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol?
(6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol has a molecular weight of 242.34 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-ol is sourced from PubChem (CID 59925080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).