1-methyl-1-thiophosphorosocyclohexane

C7H13PS — CID 23117463

IUPAC1-methyl-1-thiophosphorosocyclohexane
SMILESCC1(P=S)CCCCC1
InChIInChI=1S/C7H13PS/c1-7(8-9)5-3-2-4-6-7/h2-6H2,1H3
InChIKeyFJPIPZQTCRHVAT-UHFFFAOYSA-N
MW160.22 g/mol
LogP3.12
Rot. Bonds1

About 1-methyl-1-thiophosphorosocyclohexane

1-methyl-1-thiophosphorosocyclohexane (PubChem CID 23117463) has the molecular formula C7H13PS and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-methyl-1-thiophosphorosocyclohexane.

Molecular Properties

Compound Name1-methyl-1-thiophosphorosocyclohexane
PubChem CID23117463
Molecular FormulaC7H13PS
Molecular Weight160.22 g/mol
Exact Mass160.05
IUPAC Name1-methyl-1-thiophosphorosocyclohexane
SMILESCC1(P=S)CCCCC1
InChIInChI=1S/C7H13PS/c1-7(8-9)5-3-2-4-6-7/h2-6H2,1H3
InChIKeyFJPIPZQTCRHVAT-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
dimethyl-(1-methylcycloheptyl)phosphane
CID 122494817
azane;1,1-dimethylcyclohexane
CID 90411117
1,1-dimethylcyclohexane;methane
CID 160770296
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
1-chloro-1-methylcyclotridecane
CID 71082065
1-fluoro-1-methylcycloheptane
CID 57055784
1-ethynyl-1-methylcyclononane;methane
CID 158932279
cerium;1-methylcyclohexan-1-ol
CID 146687678
3,3,10,10-tetramethyldithiecane
CID 57298519
1-methyl-1-[1-(1-methylcyclohexyl)cyclopentyl]cyclohexane
CID 91349498

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-thiophosphorosocyclohexane?
The IUPAC name of 1-methyl-1-thiophosphorosocyclohexane (CID 23117463) is 1-methyl-1-thiophosphorosocyclohexane.
What is the SMILES notation for 1-methyl-1-thiophosphorosocyclohexane?
The canonical SMILES for 1-methyl-1-thiophosphorosocyclohexane is CC1(P=S)CCCCC1.
What is the InChIKey of 1-methyl-1-thiophosphorosocyclohexane?
The InChIKey is FJPIPZQTCRHVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13PS/c1-7(8-9)5-3-2-4-6-7/h2-6H2,1H3.
What are the key properties of 1-methyl-1-thiophosphorosocyclohexane?
1-methyl-1-thiophosphorosocyclohexane has a molecular weight of 160.22 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-thiophosphorosocyclohexane is sourced from PubChem (CID 23117463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).