cyclohexanol;10H-phenothiazine

C18H21NOS — CID 144921542

IUPACcyclohexanol;10H-phenothiazine
SMILESOC1CCCCC1.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.C6H12O/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;7-6-4-2-1-3-5-6/h1-8,13H;6-7H,1-5H2
InChIKeyACQARGCZITVLBV-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.21
Rot. Bonds

About cyclohexanol;10H-phenothiazine

cyclohexanol;10H-phenothiazine (PubChem CID 144921542) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is cyclohexanol;10H-phenothiazine.

Molecular Properties

Compound Namecyclohexanol;10H-phenothiazine
PubChem CID144921542
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Namecyclohexanol;10H-phenothiazine
SMILESOC1CCCCC1.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.C6H12O/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;7-6-4-2-1-3-5-6/h1-8,13H;6-7H,1-5H2
InChIKeyACQARGCZITVLBV-UHFFFAOYSA-N
XLogP5.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

boric acid;10H-phenothiazine
CID 159987394
ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
(3aR,7aS)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide;10H-phenothiazine
CID 144921547
1,1'-biphenyl;cyclohexanol
CID 142137438
diphenylmethanone;10H-phenothiazine
CID 175143888
10H-phenothiazine;1-phenylethenylbenzene
CID 174552079
4-tert-butylphenol;10H-phenothiazine
CID 175126036
tetrakis(cyclooctanol);zirconium
CID 142301923
tris(cyclohexanol);hydroxy(triphenyl)silane;zirconium
CID 140942551
CID 174744500
CID 174744500
2-methyl-10H-phenothiazine
CID 611628

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;10H-phenothiazine?
The IUPAC name of cyclohexanol;10H-phenothiazine (CID 144921542) is cyclohexanol;10H-phenothiazine.
What is the SMILES notation for cyclohexanol;10H-phenothiazine?
The canonical SMILES for cyclohexanol;10H-phenothiazine is OC1CCCCC1.c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of cyclohexanol;10H-phenothiazine?
The InChIKey is ACQARGCZITVLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS.C6H12O/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;7-6-4-2-1-3-5-6/h1-8,13H;6-7H,1-5H2.
What are the key properties of cyclohexanol;10H-phenothiazine?
cyclohexanol;10H-phenothiazine has a molecular weight of 299.44 g/mol, XLogP of 5.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;10H-phenothiazine is sourced from PubChem (CID 144921542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).