(2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane

C8H16S — CID 59584692

IUPAC(2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane
SMILESC=S1(=C)CC[C@H](C)[C@@H]1C
InChIInChI=1S/C8H16S/c1-7-5-6-9(3,4)8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyCJUMWLJCEUWMKM-YUMQZZPRSA-N
MW144.28 g/mol
LogP2.08
Rot. Bonds

About (2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane

(2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane (PubChem CID 59584692) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane
PubChem CID59584692
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane
SMILESC=S1(=C)CC[C@H](C)[C@@H]1C
InChIInChI=1S/C8H16S/c1-7-5-6-9(3,4)8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyCJUMWLJCEUWMKM-YUMQZZPRSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-Ethylthiolane
CID 575673
(2S,3S)-2,3-dimethylthiolane
CID 58230848
Sulfide, isopentyl pentyl
CID 525421
2,3-Dimethyltetrahydrothiophene
CID 568054
trans-2,3-Dimethyl-thiacyclopentane
CID 71366060
3-Butylthiolane
CID 568113
cis-2,3-Dimethyl-thiacyclopentane
CID 13951586
2,3-Dimethyl-4-thianonane
CID 525365
trans-3-Methyl-2-n-propylthiophane
CID 91701516
3-Ethylthio-3-methylpentane
CID 6420610
(2R,3S)-2,3-dimethylthiolane
CID 13951585
3-Butyl-2-methylthiolane
CID 20520507

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane?
The IUPAC name of (2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane (CID 59584692) is (2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane.
What is the SMILES notation for (2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane?
The canonical SMILES for (2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane is C=S1(=C)CC[C@H](C)[C@@H]1C.
What is the InChIKey of (2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane?
The InChIKey is CJUMWLJCEUWMKM-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16S/c1-7-5-6-9(3,4)8(7)2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane?
(2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane has a molecular weight of 144.28 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-1,1-dimethylidenethiolane is sourced from PubChem (CID 59584692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).