(4R,5R)-4,5-dimethyl-1,3-dithiolane

C5H10S2 — CID 135251680

IUPAC(4R,5R)-4,5-dimethyl-1,3-dithiolane
SMILESC[C@H]1SCS[C@@H]1C
InChIInChI=1S/C5H10S2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyVDKQRNZRLREXBM-RFZPGFLSSA-N
MW134.27 g/mol
LogP2.20
Rot. Bonds

About (4R,5R)-4,5-dimethyl-1,3-dithiolane

(4R,5R)-4,5-dimethyl-1,3-dithiolane (PubChem CID 135251680) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is (4R,5R)-4,5-dimethyl-1,3-dithiolane.

Molecular Properties

Compound Name(4R,5R)-4,5-dimethyl-1,3-dithiolane
PubChem CID135251680
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name(4R,5R)-4,5-dimethyl-1,3-dithiolane
SMILESC[C@H]1SCS[C@@H]1C
InChIInChI=1S/C5H10S2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyVDKQRNZRLREXBM-RFZPGFLSSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5S)-4-(2,2-dimethylpropyl)-5-methyl-1,3-dithiolane
CID 135251670
(2R)-2,3-dimethylthietane
CID 130381786
(2R,3S)-2,3-dimethylthietane
CID 162937178
(2R)-2,3-dimethylthiolane
CID 170182644
5,6-dimethyl-1,4-dithiane-2-carbaldehyde
CID 130591103
ethane;2-methyl-1,3-dithiolane
CID 142062825
2-methylthiirane;thiirane
CID 22367971
2,3,4,4-tetramethylthiolane
CID 66729842
(4R)-4-methyl-1,3-dithiane
CID 101261915
(2R,3R)-2,3-dimethyl-1,4-oxathiane
CID 13291412
(2R)-2-methyl-3-propan-2-ylthietane
CID 118612980
1,3,5-trithiane-2,4-dithiol
CID 22238759

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dimethyl-1,3-dithiolane?
The IUPAC name of (4R,5R)-4,5-dimethyl-1,3-dithiolane (CID 135251680) is (4R,5R)-4,5-dimethyl-1,3-dithiolane.
What is the SMILES notation for (4R,5R)-4,5-dimethyl-1,3-dithiolane?
The canonical SMILES for (4R,5R)-4,5-dimethyl-1,3-dithiolane is C[C@H]1SCS[C@@H]1C.
What is the InChIKey of (4R,5R)-4,5-dimethyl-1,3-dithiolane?
The InChIKey is VDKQRNZRLREXBM-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H10S2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3/t4-,5-/m1/s1.
What are the key properties of (4R,5R)-4,5-dimethyl-1,3-dithiolane?
(4R,5R)-4,5-dimethyl-1,3-dithiolane has a molecular weight of 134.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dimethyl-1,3-dithiolane is sourced from PubChem (CID 135251680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).