1-(disulfanyl)ethane-1,2-diol

C2H6O2S2 — CID 87638726

IUPAC1-(disulfanyl)ethane-1,2-diol
SMILESOCC(O)SS
InChIInChI=1S/C2H6O2S2/c3-1-2(4)6-5/h2-5H,1H2
InChIKeyPFDFVWDPESVJBT-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.12
Rot. Bonds2

About 1-(disulfanyl)ethane-1,2-diol

1-(disulfanyl)ethane-1,2-diol (PubChem CID 87638726) has the molecular formula C2H6O2S2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(disulfanyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(disulfanyl)ethane-1,2-diol
PubChem CID87638726
Molecular FormulaC2H6O2S2
Molecular Weight126.20 g/mol
Exact Mass125.98
IUPAC Name1-(disulfanyl)ethane-1,2-diol
SMILESOCC(O)SS
InChIInChI=1S/C2H6O2S2/c3-1-2(4)6-5/h2-5H,1H2
InChIKeyPFDFVWDPESVJBT-UHFFFAOYSA-N
XLogP-0.12
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(disulfanyl)ethane-1,2-diol 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)-1-(disulfanyl)butane-1,2,3,4-tetrol
CID 140970562
disulfanylmethanediol
CID 91433290
bis(propane-1,2,3-triol);titanium;hydrate
CID 10422057
molybdenum;propane-1,2,3-triol;hydrate
CID 172843449
(2R,3S)-4-(disulfanyl)-3-sulfanylbutane-1,2-diol
CID 54058685
1-(disulfanyl)henicosa-3,6,9,12,15,18-hexaen-1-ol
CID 123521424
methanethiol;propane-1,2,3-triol
CID 19920877
CID 158929584
CID 158929584
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
alumane;(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;hydrate
CID 173000212
(2S,3R,4S,5S)-5-sulfanylhexane-1,2,3,4,6-pentol
CID 87766833
gold;propane-1,2,3-triol
CID 87239797

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)ethane-1,2-diol?
The IUPAC name of 1-(disulfanyl)ethane-1,2-diol (CID 87638726) is 1-(disulfanyl)ethane-1,2-diol.
What is the SMILES notation for 1-(disulfanyl)ethane-1,2-diol?
The canonical SMILES for 1-(disulfanyl)ethane-1,2-diol is OCC(O)SS.
What is the InChIKey of 1-(disulfanyl)ethane-1,2-diol?
The InChIKey is PFDFVWDPESVJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S2/c3-1-2(4)6-5/h2-5H,1H2.
What are the key properties of 1-(disulfanyl)ethane-1,2-diol?
1-(disulfanyl)ethane-1,2-diol has a molecular weight of 126.20 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)ethane-1,2-diol is sourced from PubChem (CID 87638726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).