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

C5H10S2 — CID 101261915

IUPAC(4R)-4-methyl-1,3-dithiane
SMILESC[C@@H]1CCSCS1
InChIInChI=1S/C5H10S2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyHAXRZEWLQORZFV-RXMQYKEDSA-N
MW134.27 g/mol
LogP2.20
Rot. Bonds

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

(4R)-4-methyl-1,3-dithiane (PubChem CID 101261915) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is (4R)-4-methyl-1,3-dithiane.

Molecular Properties

Compound Name(4R)-4-methyl-1,3-dithiane
PubChem CID101261915
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name(4R)-4-methyl-1,3-dithiane
SMILESC[C@@H]1CCSCS1
InChIInChI=1S/C5H10S2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyHAXRZEWLQORZFV-RXMQYKEDSA-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

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CID 45086225
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3,7-dimethyl-1,4-thiazepane
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(2S,5S)-2,5-dimethylthiane
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5-bromo-2-methylthiane
CID 119030332
(3S,6R)-6-methylthian-3-ol
CID 124500554
1-(1,3,5-trithian-2-yl)ethanol
CID 22891749
(4R,5R)-4,5-dimethyl-1,3-dithiolane
CID 135251680
5-methyl-2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]thiepine
CID 14039442
(2R)-2,3-dimethylthiolane
CID 170182644
ethane;2-methyl-1,3-dithiolane
CID 142062825

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1,3-dithiane?
The IUPAC name of (4R)-4-methyl-1,3-dithiane (CID 101261915) is (4R)-4-methyl-1,3-dithiane.
What is the SMILES notation for (4R)-4-methyl-1,3-dithiane?
The canonical SMILES for (4R)-4-methyl-1,3-dithiane is C[C@@H]1CCSCS1.
What is the InChIKey of (4R)-4-methyl-1,3-dithiane?
The InChIKey is HAXRZEWLQORZFV-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10S2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (4R)-4-methyl-1,3-dithiane?
(4R)-4-methyl-1,3-dithiane 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)-4-methyl-1,3-dithiane is sourced from PubChem (CID 101261915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).