1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol

C10H22O4S2 — CID 45040361

IUPAC1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol
SMILESC=S(C)C(C(O)C(O)C(O)C(C)O)S(=C)C
InChIInChI=1S/C10H22O4S2/c1-6(11)7(12)8(13)9(14)10(15(2)3)16(4)5/h6-14H,2,4H2,1,3,5H3
InChIKeyKAIQWIHXUXGKGN-UHFFFAOYSA-N
MW270.42 g/mol
LogP-0.56
Rot. Bonds6

About 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol

1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol (PubChem CID 45040361) has the molecular formula C10H22O4S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol.

Molecular Properties

Compound Name1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol
PubChem CID45040361
Molecular FormulaC10H22O4S2
Molecular Weight270.42 g/mol
Exact Mass270.10
IUPAC Name1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol
SMILESC=S(C)C(C(O)C(O)C(O)C(C)O)S(=C)C
InChIInChI=1S/C10H22O4S2/c1-6(11)7(12)8(13)9(14)10(15(2)3)16(4)5/h6-14H,2,4H2,1,3,5H3
InChIKeyKAIQWIHXUXGKGN-UHFFFAOYSA-N
XLogP-0.56
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol?
The IUPAC name of 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol (CID 45040361) is 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol.
What is the SMILES notation for 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol?
The canonical SMILES for 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol is C=S(C)C(C(O)C(O)C(O)C(C)O)S(=C)C.
What is the InChIKey of 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol?
The InChIKey is KAIQWIHXUXGKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S2/c1-6(11)7(12)8(13)9(14)10(15(2)3)16(4)5/h6-14H,2,4H2,1,3,5H3.
What are the key properties of 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol?
1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol has a molecular weight of 270.42 g/mol, XLogP of -0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[methyl(methylidene)-λ4-sulfanyl]hexane-2,3,4,5-tetrol is sourced from PubChem (CID 45040361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).