(2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide

C5H10O3S2 — CID 139053352

IUPAC(2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide
SMILESC[C@@H]1[S@@](=O)CCCS1(=O)=O
InChIInChI=1S/C5H10O3S2/c1-5-9(6)3-2-4-10(5,7)8/h5H,2-4H2,1H3/t5-,9+/m1/s1
InChIKeyJMIKUOBACHKZAS-ANLVUFKYSA-N
MW182.27 g/mol
LogP-0.10
Rot. Bonds

About (2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide

(2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide (PubChem CID 139053352) has the molecular formula C5H10O3S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is (2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide
PubChem CID139053352
Molecular FormulaC5H10O3S2
Molecular Weight182.27 g/mol
Exact Mass182.01
IUPAC Name(2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide
SMILESC[C@@H]1[S@@](=O)CCCS1(=O)=O
InChIInChI=1S/C5H10O3S2/c1-5-9(6)3-2-4-10(5,7)8/h5H,2-4H2,1H3/t5-,9+/m1/s1
InChIKeyJMIKUOBACHKZAS-ANLVUFKYSA-N
XLogP-0.10
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propyl sulfone
CID 11709
2H-Thiopyran, tetrahydro-, 1,1-dioxide
CID 138400
1,3-Dithiane, 1,1,3,3-tetraoxide
CID 117794
Butyl ethyl sulfone
CID 520509
1,3-Dithiane, 1,3-dioxide
CID 4460387
2-Methyl-1lambda~4~,3-dithian-1-one
CID 27883
1,4-Dithiacyclohexane 1,1-dioxide
CID 23072611
1,3-Dithiane, 1,1-dioxide
CID 11744825
Ethyl n-propyl sulfone
CID 520507
2,2-Dimethyl-1,3-dithiane-1-oxide
CID 535129
2,4,6-Trimethyl-(1,3,5)trithiane 1,3,5-trioxide
CID 241688
3-Sulfanyl-1lambda6-thiane-1,1-dione
CID 63909678

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide?
The IUPAC name of (2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide (CID 139053352) is (2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide.
What is the SMILES notation for (2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide?
The canonical SMILES for (2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide is C[C@@H]1[S@@](=O)CCCS1(=O)=O.
What is the InChIKey of (2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide?
The InChIKey is JMIKUOBACHKZAS-ANLVUFKYSA-N. The full InChI is InChI=1S/C5H10O3S2/c1-5-9(6)3-2-4-10(5,7)8/h5H,2-4H2,1H3/t5-,9+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide?
(2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide has a molecular weight of 182.27 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-1,3-dithiane 1,1,3-trioxide is sourced from PubChem (CID 139053352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).