3-ethyl-10H-phenothiazine

C14H13NS — CID 19042678

IUPAC3-ethyl-10H-phenothiazine
SMILESCCc1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C14H13NS/c1-2-10-7-8-12-14(9-10)16-13-6-4-3-5-11(13)15-12/h3-9,15H,2H2,1H3
InChIKeySOEPASPQKHTFBS-UHFFFAOYSA-N
MW227.33 g/mol
LogP4.46
Rot. Bonds1

About 3-ethyl-10H-phenothiazine

3-ethyl-10H-phenothiazine (PubChem CID 19042678) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-ethyl-10H-phenothiazine.

Molecular Properties

Compound Name3-ethyl-10H-phenothiazine
PubChem CID19042678
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name3-ethyl-10H-phenothiazine
SMILESCCc1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C14H13NS/c1-2-10-7-8-12-14(9-10)16-13-6-4-3-5-11(13)15-12/h3-9,15H,2H2,1H3
InChIKeySOEPASPQKHTFBS-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenothiazine
CID 7108
2-(trifluoromethyl)-10H-phenothiazine
CID 7082
Phenothiazine-2-carbonitrile
CID 98841
7-Methyl-1,4-benzothiazin-3(4H)-one
CID 689104
3-Fluoro-10H-phenothiazine
CID 242838
2-ethyl-10H-phenothiazine
CID 98833
2-[1-(3,5-dimethylphenyl)ethyl]-10H-phenothiazine
CID 141531495
2-[1-(3-ethylphenyl)ethyl]-10H-phenothiazine
CID 141531503
2-[1-(4-propan-2-ylphenyl)ethyl]-10H-phenothiazine
CID 141531509
2-[1-(3-methylphenyl)ethyl]-10H-phenothiazine
CID 141531527
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-10H-phenothiazine
CID 141531537
2-[1-(3-propan-2-ylphenyl)ethyl]-10H-phenothiazine
CID 141531544

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-10H-phenothiazine?
The IUPAC name of 3-ethyl-10H-phenothiazine (CID 19042678) is 3-ethyl-10H-phenothiazine.
What is the SMILES notation for 3-ethyl-10H-phenothiazine?
The canonical SMILES for 3-ethyl-10H-phenothiazine is CCc1ccc2c(c1)Sc1ccccc1N2.
What is the InChIKey of 3-ethyl-10H-phenothiazine?
The InChIKey is SOEPASPQKHTFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-2-10-7-8-12-14(9-10)16-13-6-4-3-5-11(13)15-12/h3-9,15H,2H2,1H3.
What are the key properties of 3-ethyl-10H-phenothiazine?
3-ethyl-10H-phenothiazine has a molecular weight of 227.33 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-10H-phenothiazine is sourced from PubChem (CID 19042678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).