1,2-bis(sulfanyl)ethane-1,1-diol

C2H6O2S2 — CID 150334955

IUPAC1,2-bis(sulfanyl)ethane-1,1-diol
SMILESOC(O)(S)CS
InChIInChI=1S/C2H6O2S2/c3-2(4,6)1-5/h3-6H,1H2
InChIKeyGQLYHVMXSMQULO-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.52
Rot. Bonds1

About 1,2-bis(sulfanyl)ethane-1,1-diol

1,2-bis(sulfanyl)ethane-1,1-diol (PubChem CID 150334955) has the molecular formula C2H6O2S2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,2-bis(sulfanyl)ethane-1,1-diol.

Molecular Properties

Compound Name1,2-bis(sulfanyl)ethane-1,1-diol
PubChem CID150334955
Molecular FormulaC2H6O2S2
Molecular Weight126.20 g/mol
Exact Mass125.98
IUPAC Name1,2-bis(sulfanyl)ethane-1,1-diol
SMILESOC(O)(S)CS
InChIInChI=1S/C2H6O2S2/c3-2(4,6)1-5/h3-6H,1H2
InChIKeyGQLYHVMXSMQULO-UHFFFAOYSA-N
XLogP-0.52
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(sulfanyl)butane-2,2,3,3-tetrol
CID 141179174
2,3-dimethyl-1,4-bis(sulfanyl)butane-2,3-diol
CID 58892166
1,1,1,3,3,3-hexafluoro-2-(sulfanylmethyl)propan-2-ol
CID 58864042
3-(sulfanylmethyl)pentan-3-ol
CID 54311594
3-methyl-4-sulfanylbutane-1,3-diol
CID 87233206
2-methylsulfanylpropane-1,2,3-trithiol
CID 175815036
tris[1,1,2-tris(sulfanyl)ethyl] 2-hydroxypropane-1,2,3-tricarboxylate
CID 19025986
1-amino-1-sulfanylethanol
CID 87381402
1,1-bis(sulfanyl)pentane-1,2,2-triol
CID 89422410
1,1-bis(sulfanyl)prop-2-en-1-ol
CID 123602556
2-methylpropane-2-thiol;propan-2-imine
CID 164871424
(1S)-1-methoxy-1-sulfanylpropan-1-ol
CID 124639620

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(sulfanyl)ethane-1,1-diol?
The IUPAC name of 1,2-bis(sulfanyl)ethane-1,1-diol (CID 150334955) is 1,2-bis(sulfanyl)ethane-1,1-diol.
What is the SMILES notation for 1,2-bis(sulfanyl)ethane-1,1-diol?
The canonical SMILES for 1,2-bis(sulfanyl)ethane-1,1-diol is OC(O)(S)CS.
What is the InChIKey of 1,2-bis(sulfanyl)ethane-1,1-diol?
The InChIKey is GQLYHVMXSMQULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S2/c3-2(4,6)1-5/h3-6H,1H2.
What are the key properties of 1,2-bis(sulfanyl)ethane-1,1-diol?
1,2-bis(sulfanyl)ethane-1,1-diol has a molecular weight of 126.20 g/mol, XLogP of -0.52, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(sulfanyl)ethane-1,1-diol is sourced from PubChem (CID 150334955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).