3-chloro-10-ethylphenothiazine

C14H12ClNS — CID 5107479

IUPAC3-chloro-10-ethylphenothiazine
SMILESCCN1c2ccccc2Sc2cc(Cl)ccc21
InChIInChI=1S/C14H12ClNS/c1-2-16-11-5-3-4-6-13(11)17-14-9-10(15)7-8-12(14)16/h3-9H,2H2,1H3
InChIKeyXOVGCKPQBBCMIX-UHFFFAOYSA-N
MW261.78 g/mol
LogP4.96
Rot. Bonds1

About 3-chloro-10-ethylphenothiazine

3-chloro-10-ethylphenothiazine (PubChem CID 5107479) has the molecular formula C14H12ClNS and a molecular weight of 261.78 g/mol. Its IUPAC name is 3-chloro-10-ethylphenothiazine.

Molecular Properties

Compound Name3-chloro-10-ethylphenothiazine
PubChem CID5107479
Molecular FormulaC14H12ClNS
Molecular Weight261.78 g/mol
Exact Mass261.04
IUPAC Name3-chloro-10-ethylphenothiazine
SMILESCCN1c2ccccc2Sc2cc(Cl)ccc21
InChIInChI=1S/C14H12ClNS/c1-2-16-11-5-3-4-6-13(11)17-14-9-10(15)7-8-12(14)16/h3-9H,2H2,1H3
InChIKeyXOVGCKPQBBCMIX-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-10-ethylphenothiazine?
The IUPAC name of 3-chloro-10-ethylphenothiazine (CID 5107479) is 3-chloro-10-ethylphenothiazine.
What is the SMILES notation for 3-chloro-10-ethylphenothiazine?
The canonical SMILES for 3-chloro-10-ethylphenothiazine is CCN1c2ccccc2Sc2cc(Cl)ccc21.
What is the InChIKey of 3-chloro-10-ethylphenothiazine?
The InChIKey is XOVGCKPQBBCMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNS/c1-2-16-11-5-3-4-6-13(11)17-14-9-10(15)7-8-12(14)16/h3-9H,2H2,1H3.
What are the key properties of 3-chloro-10-ethylphenothiazine?
3-chloro-10-ethylphenothiazine has a molecular weight of 261.78 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-10-ethylphenothiazine is sourced from PubChem (CID 5107479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).