10-(4-butylphenyl)phenothiazine

C22H21NS — CID 22381652

IUPAC10-(4-butylphenyl)phenothiazine
SMILESCCCCc1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C22H21NS/c1-2-3-8-17-13-15-18(16-14-17)23-19-9-4-6-11-21(19)24-22-12-7-5-10-20(22)23/h4-7,9-16H,2-3,8H2,1H3
InChIKeyZTVPJANIAZGFLB-UHFFFAOYSA-N
MW331.48 g/mol
LogP6.96
Rot. Bonds4

About 10-(4-butylphenyl)phenothiazine

10-(4-butylphenyl)phenothiazine (PubChem CID 22381652) has the molecular formula C22H21NS and a molecular weight of 331.48 g/mol. Its IUPAC name is 10-(4-butylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(4-butylphenyl)phenothiazine
PubChem CID22381652
Molecular FormulaC22H21NS
Molecular Weight331.48 g/mol
Exact Mass331.14
IUPAC Name10-(4-butylphenyl)phenothiazine
SMILESCCCCc1ccc(N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C22H21NS/c1-2-3-8-17-13-15-18(16-14-17)23-19-9-4-6-11-21(19)24-22-12-7-5-10-20(22)23/h4-7,9-16H,2-3,8H2,1H3
InChIKeyZTVPJANIAZGFLB-UHFFFAOYSA-N
XLogP6.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.48
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(4-butylphenyl)phenothiazine?
The IUPAC name of 10-(4-butylphenyl)phenothiazine (CID 22381652) is 10-(4-butylphenyl)phenothiazine.
What is the SMILES notation for 10-(4-butylphenyl)phenothiazine?
The canonical SMILES for 10-(4-butylphenyl)phenothiazine is CCCCc1ccc(N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 10-(4-butylphenyl)phenothiazine?
The InChIKey is ZTVPJANIAZGFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NS/c1-2-3-8-17-13-15-18(16-14-17)23-19-9-4-6-11-21(19)24-22-12-7-5-10-20(22)23/h4-7,9-16H,2-3,8H2,1H3.
What are the key properties of 10-(4-butylphenyl)phenothiazine?
10-(4-butylphenyl)phenothiazine has a molecular weight of 331.48 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-butylphenyl)phenothiazine is sourced from PubChem (CID 22381652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).