(3S,5R)-3,5-dimethyldithiolane

C5H10S2 — CID 10558670

IUPAC(3S,5R)-3,5-dimethyldithiolane
SMILESC[C@@H]1C[C@H](C)SS1
InChIInChI=1S/C5H10S2/c1-4-3-5(2)7-6-4/h4-5H,3H2,1-2H3/t4-,5+
InChIKeyKFUVOYOTMWUCHL-SYDPRGILSA-N
MW134.27 g/mol
LogP2.55
Rot. Bonds

About (3S,5R)-3,5-dimethyldithiolane

(3S,5R)-3,5-dimethyldithiolane (PubChem CID 10558670) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyldithiolane.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyldithiolane
PubChem CID10558670
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name(3S,5R)-3,5-dimethyldithiolane
SMILESC[C@@H]1C[C@H](C)SS1
InChIInChI=1S/C5H10S2/c1-4-3-5(2)7-6-4/h4-5H,3H2,1-2H3/t4-,5+
InChIKeyKFUVOYOTMWUCHL-SYDPRGILSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,5R)-3,5-dimethyldithiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amyl methyl disulfide
CID 522459
1-Pentanesulfenothioic acid
CID 21251947
3,3-Dimethyl-1,2-dithiolane
CID 6453614
Charatoxin
CID 156360
4,4-Dimethyl-1,2,3-trithiolane
CID 16664240
1,2-Dithiolane, 3-propyl-
CID 155530
3-Methyl-1,2-dithiolane
CID 525446
1,2-Dithiolane, 4,4-dimethyl-
CID 11105410
(3R)-3-propyldithiolane
CID 13039504
3-Ethyl-1,2-dithiolane
CID 18689485
Diathyltrithiolan
CID 129632532
1,2-Dithiolane, 4-methyl
CID 219461

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyldithiolane?
The IUPAC name of (3S,5R)-3,5-dimethyldithiolane (CID 10558670) is (3S,5R)-3,5-dimethyldithiolane.
What is the SMILES notation for (3S,5R)-3,5-dimethyldithiolane?
The canonical SMILES for (3S,5R)-3,5-dimethyldithiolane is C[C@@H]1C[C@H](C)SS1.
What is the InChIKey of (3S,5R)-3,5-dimethyldithiolane?
The InChIKey is KFUVOYOTMWUCHL-SYDPRGILSA-N. The full InChI is InChI=1S/C5H10S2/c1-4-3-5(2)7-6-4/h4-5H,3H2,1-2H3/t4-,5+.
What are the key properties of (3S,5R)-3,5-dimethyldithiolane?
(3S,5R)-3,5-dimethyldithiolane has a molecular weight of 134.27 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyldithiolane is sourced from PubChem (CID 10558670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).