3-methyl-3-methylsulfanylthiolane

C6H12S2 — CID 167310175

IUPAC3-methyl-3-methylsulfanylthiolane
SMILESCSC1(C)CCSC1
InChIInChI=1S/C6H12S2/c1-6(7-2)3-4-8-5-6/h3-5H2,1-2H3
InChIKeyVDJNVROGYIEQMG-UHFFFAOYSA-N
MW148.30 g/mol
LogP2.24
Rot. Bonds1

About 3-methyl-3-methylsulfanylthiolane

3-methyl-3-methylsulfanylthiolane (PubChem CID 167310175) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is 3-methyl-3-methylsulfanylthiolane.

Molecular Properties

Compound Name3-methyl-3-methylsulfanylthiolane
PubChem CID167310175
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name3-methyl-3-methylsulfanylthiolane
SMILESCSC1(C)CCSC1
InChIInChI=1S/C6H12S2/c1-6(7-2)3-4-8-5-6/h3-5H2,1-2H3
InChIKeyVDJNVROGYIEQMG-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluorothiolane;ethane
CID 170752732
3-(methoxymethyl)thiolan-3-amine
CID 83905010
4-methylthiane-4-thiol
CID 170105339
3,3-dichlorothiolane
CID 57277185
3-methoxy-4,4-dimethylthiane-3-carboxylic acid
CID 116769535
(3S)-3-methyl-3-methylsulfanylpyrrolidine
CID 146248048
2-thiaspiro[4.4]nonane
CID 20542465
ethane;methane;3-methylthiane-3-carbonitrile
CID 142565790
N-(3-methylthiolan-3-yl)acetamide
CID 129016909
3-ethynyl-4,4-dimethylthian-3-ol
CID 79955720
4-(aminomethyl)-3,3-dimethylthian-4-ol
CID 83906129
ethane;3,3,4-trimethylthiane
CID 144627072

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-methylsulfanylthiolane?
The IUPAC name of 3-methyl-3-methylsulfanylthiolane (CID 167310175) is 3-methyl-3-methylsulfanylthiolane.
What is the SMILES notation for 3-methyl-3-methylsulfanylthiolane?
The canonical SMILES for 3-methyl-3-methylsulfanylthiolane is CSC1(C)CCSC1.
What is the InChIKey of 3-methyl-3-methylsulfanylthiolane?
The InChIKey is VDJNVROGYIEQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S2/c1-6(7-2)3-4-8-5-6/h3-5H2,1-2H3.
What are the key properties of 3-methyl-3-methylsulfanylthiolane?
3-methyl-3-methylsulfanylthiolane has a molecular weight of 148.30 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-methylsulfanylthiolane is sourced from PubChem (CID 167310175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).