10-(3-chloropropyl)phenothiazin-1-ol

C15H14ClNOS — CID 67800823

IUPAC10-(3-chloropropyl)phenothiazin-1-ol
SMILESOc1cccc2c1N(CCCCl)c1ccccc1S2
InChIInChI=1S/C15H14ClNOS/c16-9-4-10-17-11-5-1-2-7-13(11)19-14-8-3-6-12(18)15(14)17/h1-3,5-8,18H,4,9-10H2
InChIKeyBASGJPSIGHLOHR-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.62
Rot. Bonds3

About 10-(3-chloropropyl)phenothiazin-1-ol

10-(3-chloropropyl)phenothiazin-1-ol (PubChem CID 67800823) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 10-(3-chloropropyl)phenothiazin-1-ol.

Molecular Properties

Compound Name10-(3-chloropropyl)phenothiazin-1-ol
PubChem CID67800823
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name10-(3-chloropropyl)phenothiazin-1-ol
SMILESOc1cccc2c1N(CCCCl)c1ccccc1S2
InChIInChI=1S/C15H14ClNOS/c16-9-4-10-17-11-5-1-2-7-13(11)19-14-8-3-6-12(18)15(14)17/h1-3,5-8,18H,4,9-10H2
InChIKeyBASGJPSIGHLOHR-UHFFFAOYSA-N
XLogP4.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(3-chloropropyl)phenothiazin-1-ol?
The IUPAC name of 10-(3-chloropropyl)phenothiazin-1-ol (CID 67800823) is 10-(3-chloropropyl)phenothiazin-1-ol.
What is the SMILES notation for 10-(3-chloropropyl)phenothiazin-1-ol?
The canonical SMILES for 10-(3-chloropropyl)phenothiazin-1-ol is Oc1cccc2c1N(CCCCl)c1ccccc1S2.
What is the InChIKey of 10-(3-chloropropyl)phenothiazin-1-ol?
The InChIKey is BASGJPSIGHLOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-9-4-10-17-11-5-1-2-7-13(11)19-14-8-3-6-12(18)15(14)17/h1-3,5-8,18H,4,9-10H2.
What are the key properties of 10-(3-chloropropyl)phenothiazin-1-ol?
10-(3-chloropropyl)phenothiazin-1-ol has a molecular weight of 291.80 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-chloropropyl)phenothiazin-1-ol is sourced from PubChem (CID 67800823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).