[4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol

C10H18O2S — CID 87870311

IUPAC[4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol
SMILESSCC1CCC(C2OCCO2)CC1
InChIInChI=1S/C10H18O2S/c13-7-8-1-3-9(4-2-8)10-11-5-6-12-10/h8-10,13H,1-7H2
InChIKeyUWTBDPMCNWFZGB-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.10
Rot. Bonds2

About [4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol

[4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol (PubChem CID 87870311) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is [4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol.

Molecular Properties

Compound Name[4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol
PubChem CID87870311
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name[4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol
SMILESSCC1CCC(C2OCCO2)CC1
InChIInChI=1S/C10H18O2S/c13-7-8-1-3-9(4-2-8)10-11-5-6-12-10/h8-10,13H,1-7H2
InChIKeyUWTBDPMCNWFZGB-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol?
The IUPAC name of [4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol (CID 87870311) is [4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol.
What is the SMILES notation for [4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol?
The canonical SMILES for [4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol is SCC1CCC(C2OCCO2)CC1.
What is the InChIKey of [4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol?
The InChIKey is UWTBDPMCNWFZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c13-7-8-1-3-9(4-2-8)10-11-5-6-12-10/h8-10,13H,1-7H2.
What are the key properties of [4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol?
[4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol has a molecular weight of 202.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxolan-2-yl)cyclohexyl]methanethiol is sourced from PubChem (CID 87870311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).