(2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide

C12H20OS5 — CID 132526345

IUPAC(2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide
SMILESC=CCSSC[C@@H]1CC(C)S(=O)[C@@H]1SSCC=C
InChIInChI=1S/C12H20OS5/c1-4-6-14-16-9-11-8-10(3)18(13)12(11)17-15-7-5-2/h4-5,10-12H,1-2,6-9H2,3H3/t10?,11-,12-,18?/m0/s1
InChIKeyYIKXZSDUDUXISS-ICBQKXGSSA-N
MW340.63 g/mol
LogP4.60
Rot. Bonds9

About (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide

(2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide (PubChem CID 132526345) has the molecular formula C12H20OS5 and a molecular weight of 340.63 g/mol. Its IUPAC name is (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide.

Molecular Properties

Compound Name(2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide
PubChem CID132526345
Molecular FormulaC12H20OS5
Molecular Weight340.63 g/mol
Exact Mass340.01
IUPAC Name(2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide
SMILESC=CCSSC[C@@H]1CC(C)S(=O)[C@@H]1SSCC=C
InChIInChI=1S/C12H20OS5/c1-4-6-14-16-9-11-8-10(3)18(13)12(11)17-15-7-5-2/h4-5,10-12H,1-2,6-9H2,3H3/t10?,11-,12-,18?/m0/s1
InChIKeyYIKXZSDUDUXISS-ICBQKXGSSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.63
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide 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

(2S,3R)-6-methyl-2,3-bis(prop-2-enyldisulfanyl)thiane 1-oxide
CID 132526347
(1S,2R,3R,4S,5R)-3,4-dimethyl-2-(prop-2-enyldisulfanyl)-5-[(S)-prop-1-enylsulfinyl]thiolane 1-oxide
CID 162918148
2-[(prop-2-enyldisulfanyl)methyl]thiirane
CID 139841839
3,4-dimethyl-5-(prop-2-enyldisulfanyl)thiolan-2-one
CID 156587604
2,4-dimethylthietane 1-oxide
CID 130381681
2,5-diethyl-1,4-dithiane;3-(prop-2-enyldisulfanyl)prop-1-ene
CID 158435421
3-[(prop-2-enyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
CID 14223532
(1R,2R,3S,4R,5S)-2-hydroxysulfanyl-3,4-dimethyl-5-prop-2-enylthiolane 1-oxide
CID 163021507
1,2-bis(prop-2-enyldisulfanyl)propane
CID 14223530
prop-2-enylsulfanyl formate
CID 87571531
5-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122117884
sodium prop-2-enylsulfanyl sulfate
CID 23674984

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide?
The IUPAC name of (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide (CID 132526345) is (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide.
What is the SMILES notation for (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide?
The canonical SMILES for (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide is C=CCSSC[C@@H]1CC(C)S(=O)[C@@H]1SSCC=C.
What is the InChIKey of (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide?
The InChIKey is YIKXZSDUDUXISS-ICBQKXGSSA-N. The full InChI is InChI=1S/C12H20OS5/c1-4-6-14-16-9-11-8-10(3)18(13)12(11)17-15-7-5-2/h4-5,10-12H,1-2,6-9H2,3H3/t10?,11-,12-,18?/m0/s1.
What are the key properties of (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide?
(2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide has a molecular weight of 340.63 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-methyl-2-(prop-2-enyldisulfanyl)-3-[(prop-2-enyldisulfanyl)methyl]thiolane 1-oxide is sourced from PubChem (CID 132526345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).