(1-methylcyclohexyl)sulfanylphosphonic acid

C7H15O3PS — CID 21217425

IUPAC(1-methylcyclohexyl)sulfanylphosphonic acid
SMILESCC1(SP(=O)(O)O)CCCCC1
InChIInChI=1S/C7H15O3PS/c1-7(12-11(8,9)10)5-3-2-4-6-7/h2-6H2,1H3,(H2,8,9,10)
InChIKeyKQVQNCXQZFEZDM-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.54
Rot. Bonds2

About (1-methylcyclohexyl)sulfanylphosphonic acid

(1-methylcyclohexyl)sulfanylphosphonic acid (PubChem CID 21217425) has the molecular formula C7H15O3PS and a molecular weight of 210.23 g/mol. Its IUPAC name is (1-methylcyclohexyl)sulfanylphosphonic acid.

Molecular Properties

Compound Name(1-methylcyclohexyl)sulfanylphosphonic acid
PubChem CID21217425
Molecular FormulaC7H15O3PS
Molecular Weight210.23 g/mol
Exact Mass210.05
IUPAC Name(1-methylcyclohexyl)sulfanylphosphonic acid
SMILESCC1(SP(=O)(O)O)CCCCC1
InChIInChI=1S/C7H15O3PS/c1-7(12-11(8,9)10)5-3-2-4-6-7/h2-6H2,1H3,(H2,8,9,10)
InChIKeyKQVQNCXQZFEZDM-UHFFFAOYSA-N
XLogP2.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-methylcyclohexyl)sulfanylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylcyclohexyl)phosphonic acid
CID 154345979
cyclohexane;phosphoric acid
CID 66712199
azane;cyclopropane;phosphoric acid
CID 67655484
(1,2,2-trimethylcyclohexyl) dihydrogen phosphate
CID 139774978
(1-aminocyclopentyl)phosphonic acid
CID 2733968
1,1-dimethylcyclononane
CID 59289773
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
cerium;1-methylcyclohexan-1-ol
CID 146687678
1-(tert-butyltrisulfanyl)-1-methylcyclohexane
CID 11831864
[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid
CID 130287570
formic acid;1-methylcyclohexan-1-ol
CID 163667859
dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol
CID 19770518

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)sulfanylphosphonic acid?
The IUPAC name of (1-methylcyclohexyl)sulfanylphosphonic acid (CID 21217425) is (1-methylcyclohexyl)sulfanylphosphonic acid.
What is the SMILES notation for (1-methylcyclohexyl)sulfanylphosphonic acid?
The canonical SMILES for (1-methylcyclohexyl)sulfanylphosphonic acid is CC1(SP(=O)(O)O)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)sulfanylphosphonic acid?
The InChIKey is KQVQNCXQZFEZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3PS/c1-7(12-11(8,9)10)5-3-2-4-6-7/h2-6H2,1H3,(H2,8,9,10).
What are the key properties of (1-methylcyclohexyl)sulfanylphosphonic acid?
(1-methylcyclohexyl)sulfanylphosphonic acid has a molecular weight of 210.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)sulfanylphosphonic acid is sourced from PubChem (CID 21217425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).