(4R)-4-methyl-1,3-dithiolane

C4H8S2 — CID 637772

IUPAC(4R)-4-methyl-1,3-dithiolane
SMILESC[C@@H]1CSCS1
InChIInChI=1S/C4H8S2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyRCAGLIUGQCZIDE-SCSAIBSYSA-N
MW120.24 g/mol
LogP1.81
Rot. Bonds

About (4R)-4-methyl-1,3-dithiolane

(4R)-4-methyl-1,3-dithiolane (PubChem CID 637772) has the molecular formula C4H8S2 and a molecular weight of 120.24 g/mol. Its IUPAC name is (4R)-4-methyl-1,3-dithiolane.

Molecular Properties

Compound Name(4R)-4-methyl-1,3-dithiolane
PubChem CID637772
Molecular FormulaC4H8S2
Molecular Weight120.24 g/mol
Exact Mass120.01
IUPAC Name(4R)-4-methyl-1,3-dithiolane
SMILESC[C@@H]1CSCS1
InChIInChI=1S/C4H8S2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyRCAGLIUGQCZIDE-SCSAIBSYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1,3-dithiolane
CID 21828
3,5-Dimethyl-1,2,4-trithiolane
CID 32033
3,5-Diethyl-1,2,4-trithiolane
CID 520895
2-Isopropyl-1,3-dithiolane
CID 33589
1-(Methylthio)propyl propyl disulfide
CID 528856
Methyl 1-(methylthio)propyl disulfide
CID 521472
3,5-Diethyl-1,2,4-trithiolane, (Z)-
CID 6431294
2,2,4-Trimethyl-1,3-dithiolane
CID 22148
1,3-Dithiolane, 2,2-dimethyl-
CID 22332
1,3-Dithiolane, 2-ethyl-2-methyl-
CID 22333
1,3-Dithiolane, 4-methyl-
CID 39655
Propane, 1,3-bis(methylthio)-
CID 141161

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1,3-dithiolane?
The IUPAC name of (4R)-4-methyl-1,3-dithiolane (CID 637772) is (4R)-4-methyl-1,3-dithiolane.
What is the SMILES notation for (4R)-4-methyl-1,3-dithiolane?
The canonical SMILES for (4R)-4-methyl-1,3-dithiolane is C[C@@H]1CSCS1.
What is the InChIKey of (4R)-4-methyl-1,3-dithiolane?
The InChIKey is RCAGLIUGQCZIDE-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8S2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (4R)-4-methyl-1,3-dithiolane?
(4R)-4-methyl-1,3-dithiolane has a molecular weight of 120.24 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1,3-dithiolane is sourced from PubChem (CID 637772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).