2,4-bis(1-methylsulfanylethyl)thiolane

C10H20S3 — CID 102064130

IUPAC2,4-bis(1-methylsulfanylethyl)thiolane
SMILESCSC(C)C1CSC(C(C)SC)C1
InChIInChI=1S/C10H20S3/c1-7(11-3)9-5-10(13-6-9)8(2)12-4/h7-10H,5-6H2,1-4H3
InChIKeyQIGFTHGICVSJGE-UHFFFAOYSA-N
MW236.47 g/mol
LogP3.61
Rot. Bonds4

About 2,4-bis(1-methylsulfanylethyl)thiolane

2,4-bis(1-methylsulfanylethyl)thiolane (PubChem CID 102064130) has the molecular formula C10H20S3 and a molecular weight of 236.47 g/mol. Its IUPAC name is 2,4-bis(1-methylsulfanylethyl)thiolane.

Molecular Properties

Compound Name2,4-bis(1-methylsulfanylethyl)thiolane
PubChem CID102064130
Molecular FormulaC10H20S3
Molecular Weight236.47 g/mol
Exact Mass236.07
IUPAC Name2,4-bis(1-methylsulfanylethyl)thiolane
SMILESCSC(C)C1CSC(C(C)SC)C1
InChIInChI=1S/C10H20S3/c1-7(11-3)9-5-10(13-6-9)8(2)12-4/h7-10H,5-6H2,1-4H3
InChIKeyQIGFTHGICVSJGE-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-pentan-2-ylthiirane
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4-cyclohexyl-2-propan-2-ylthiolane
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(5-tert-butyl-1,3-dithian-2-yl)-dimethyl-methylsulfanylphosphanium
CID 10365525
1,3-dithian-2-yl-dimethyl-methylsulfanylphosphanium
CID 10248946
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176605409
(2R,5R)-2-methyl-5-propan-2-yl-1,3-oxathiane
CID 92860765
3-(1-methylsulfanylethyl)aziridin-2-amine
CID 123615797
1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane
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2-(2-methylsulfanylpropyl)-1,3-dithiane
CID 91806567
2-[chloro(iodo)methyl]thiirane
CID 155345801

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(1-methylsulfanylethyl)thiolane?
The IUPAC name of 2,4-bis(1-methylsulfanylethyl)thiolane (CID 102064130) is 2,4-bis(1-methylsulfanylethyl)thiolane.
What is the SMILES notation for 2,4-bis(1-methylsulfanylethyl)thiolane?
The canonical SMILES for 2,4-bis(1-methylsulfanylethyl)thiolane is CSC(C)C1CSC(C(C)SC)C1.
What is the InChIKey of 2,4-bis(1-methylsulfanylethyl)thiolane?
The InChIKey is QIGFTHGICVSJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S3/c1-7(11-3)9-5-10(13-6-9)8(2)12-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,4-bis(1-methylsulfanylethyl)thiolane?
2,4-bis(1-methylsulfanylethyl)thiolane has a molecular weight of 236.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(1-methylsulfanylethyl)thiolane is sourced from PubChem (CID 102064130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).