2-methyl-2-(thiolan-2-ylmethyl)oxolane

C10H18OS — CID 91383582

IUPAC2-methyl-2-(thiolan-2-ylmethyl)oxolane
SMILESCC1(CC2CCCS2)CCCO1
InChIInChI=1S/C10H18OS/c1-10(5-3-6-11-10)8-9-4-2-7-12-9/h9H,2-8H2,1H3
InChIKeyZAXGTQPZABPHLQ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.84
Rot. Bonds2

About 2-methyl-2-(thiolan-2-ylmethyl)oxolane

2-methyl-2-(thiolan-2-ylmethyl)oxolane (PubChem CID 91383582) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-methyl-2-(thiolan-2-ylmethyl)oxolane.

Molecular Properties

Compound Name2-methyl-2-(thiolan-2-ylmethyl)oxolane
PubChem CID91383582
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-methyl-2-(thiolan-2-ylmethyl)oxolane
SMILESCC1(CC2CCCS2)CCCO1
InChIInChI=1S/C10H18OS/c1-10(5-3-6-11-10)8-9-4-2-7-12-9/h9H,2-8H2,1H3
InChIKeyZAXGTQPZABPHLQ-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thiolan-2-ylmethyl)oxolane?
The IUPAC name of 2-methyl-2-(thiolan-2-ylmethyl)oxolane (CID 91383582) is 2-methyl-2-(thiolan-2-ylmethyl)oxolane.
What is the SMILES notation for 2-methyl-2-(thiolan-2-ylmethyl)oxolane?
The canonical SMILES for 2-methyl-2-(thiolan-2-ylmethyl)oxolane is CC1(CC2CCCS2)CCCO1.
What is the InChIKey of 2-methyl-2-(thiolan-2-ylmethyl)oxolane?
The InChIKey is ZAXGTQPZABPHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-10(5-3-6-11-10)8-9-4-2-7-12-9/h9H,2-8H2,1H3.
What are the key properties of 2-methyl-2-(thiolan-2-ylmethyl)oxolane?
2-methyl-2-(thiolan-2-ylmethyl)oxolane has a molecular weight of 186.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thiolan-2-ylmethyl)oxolane is sourced from PubChem (CID 91383582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).