3-(2-methylpropyl)-3-propan-2-ylthietane

C10H20S — CID 164846034

IUPAC3-(2-methylpropyl)-3-propan-2-ylthietane
SMILESCC(C)CC1(C(C)C)CSC1
InChIInChI=1S/C10H20S/c1-8(2)5-10(9(3)4)6-11-7-10/h8-9H,5-7H2,1-4H3
InChIKeyHTPGAETYCGXAEU-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.42
Rot. Bonds3

About 3-(2-methylpropyl)-3-propan-2-ylthietane

3-(2-methylpropyl)-3-propan-2-ylthietane (PubChem CID 164846034) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 3-(2-methylpropyl)-3-propan-2-ylthietane.

Molecular Properties

Compound Name3-(2-methylpropyl)-3-propan-2-ylthietane
PubChem CID164846034
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name3-(2-methylpropyl)-3-propan-2-ylthietane
SMILESCC(C)CC1(C(C)C)CSC1
InChIInChI=1S/C10H20S/c1-8(2)5-10(9(3)4)6-11-7-10/h8-9H,5-7H2,1-4H3
InChIKeyHTPGAETYCGXAEU-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-3-propan-2-ylthietane?
The IUPAC name of 3-(2-methylpropyl)-3-propan-2-ylthietane (CID 164846034) is 3-(2-methylpropyl)-3-propan-2-ylthietane.
What is the SMILES notation for 3-(2-methylpropyl)-3-propan-2-ylthietane?
The canonical SMILES for 3-(2-methylpropyl)-3-propan-2-ylthietane is CC(C)CC1(C(C)C)CSC1.
What is the InChIKey of 3-(2-methylpropyl)-3-propan-2-ylthietane?
The InChIKey is HTPGAETYCGXAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-8(2)5-10(9(3)4)6-11-7-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-3-propan-2-ylthietane?
3-(2-methylpropyl)-3-propan-2-ylthietane has a molecular weight of 172.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-3-propan-2-ylthietane is sourced from PubChem (CID 164846034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).