(2R)-2,3-dimethylthiolane

C6H12S — CID 170182644

IUPAC(2R)-2,3-dimethylthiolane
SMILESCC1CCS[C@@H]1C
InChIInChI=1S/C6H12S/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5?,6-/m1/s1
InChIKeyPQAQKWCWCGKBDS-PRJDIBJQSA-N
MW116.23 g/mol
LogP2.15
Rot. Bonds

About (2R)-2,3-dimethylthiolane

(2R)-2,3-dimethylthiolane (PubChem CID 170182644) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is (2R)-2,3-dimethylthiolane.

Molecular Properties

Compound Name(2R)-2,3-dimethylthiolane
PubChem CID170182644
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name(2R)-2,3-dimethylthiolane
SMILESCC1CCS[C@@H]1C
InChIInChI=1S/C6H12S/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5?,6-/m1/s1
InChIKeyPQAQKWCWCGKBDS-PRJDIBJQSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylthiolane-2-thiol
CID 131969015
(2S,3S)-3-methoxy-2-methylthiolane
CID 54477209
2-methyl-N-[(2-methylcyclopropyl)methyl]thiolan-3-amine
CID 102671571
N-methyl-1-(2-methylthiolan-3-yl)methanamine
CID 83904999
(2R)-2,3-dimethylthietane
CID 130381786
(2R,3S)-2,3-dimethylthietane
CID 162937178
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809
(8S)-5,5,7,8-tetramethyl-1,4-thiazocane
CID 142372486
2-methyl-3-(sulfamoylamino)thiolane
CID 131142743
3-(2-methylthiolan-3-yl)propanenitrile
CID 83905193
(2R,3R)-2,3-dimethyl-1,4-oxathiane
CID 13291412
N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine
CID 130948671

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dimethylthiolane?
The IUPAC name of (2R)-2,3-dimethylthiolane (CID 170182644) is (2R)-2,3-dimethylthiolane.
What is the SMILES notation for (2R)-2,3-dimethylthiolane?
The canonical SMILES for (2R)-2,3-dimethylthiolane is CC1CCS[C@@H]1C.
What is the InChIKey of (2R)-2,3-dimethylthiolane?
The InChIKey is PQAQKWCWCGKBDS-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H12S/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5?,6-/m1/s1.
What are the key properties of (2R)-2,3-dimethylthiolane?
(2R)-2,3-dimethylthiolane has a molecular weight of 116.23 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dimethylthiolane is sourced from PubChem (CID 170182644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).