(1R)-1-sulfanylethanol;2-sulfanylethanol

C4H12O2S2 — CID 158071036

IUPAC(1R)-1-sulfanylethanol;2-sulfanylethanol
SMILESC[C@H](O)S.OCCS
InChIInChI=1S/2C2H6OS/c1-2(3)4;3-1-2-4/h2-4H,1H3;3-4H,1-2H2/t2-;/m1./s1
InChIKeyFLUZBADEVUCQAE-HSHFZTNMSA-N
MW156.27 g/mol
LogP0.16
Rot. Bonds1

About (1R)-1-sulfanylethanol;2-sulfanylethanol

(1R)-1-sulfanylethanol;2-sulfanylethanol (PubChem CID 158071036) has the molecular formula C4H12O2S2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (1R)-1-sulfanylethanol;2-sulfanylethanol.

Molecular Properties

Compound Name(1R)-1-sulfanylethanol;2-sulfanylethanol
PubChem CID158071036
Molecular FormulaC4H12O2S2
Molecular Weight156.27 g/mol
Exact Mass156.03
IUPAC Name(1R)-1-sulfanylethanol;2-sulfanylethanol
SMILESC[C@H](O)S.OCCS
InChIInChI=1S/2C2H6OS/c1-2(3)4;3-1-2-4/h2-4H,1H3;3-4H,1-2H2/t2-;/m1./s1
InChIKeyFLUZBADEVUCQAE-HSHFZTNMSA-N
XLogP0.16
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.16
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

Hydroxyethyl disulfide
CID 15906
Bis(2-hydroxyethyl) trisulfide
CID 20483
Ethylene-2,2'-bis(dithio)bis(ethanol)
CID 128568
1,1'-Dithiodipropan-2-ol
CID 6451903
Ethanol, 2,2',2''-(stibylidynetris(thio))tris-
CID 116971
Antimony, tris(2-(mercapto-kappaS)ethanolato-kappaO)-
CID 172753
2,3-Disulfanylbutan-1-ol
CID 474205
Selenodimercaptoethanol
CID 189143
1-Hydroxyethyl disulfide
CID 21585092
Water 2-mercaptoethanol
CID 129662325
2-Hydroxyethyl ethyl disulfide
CID 542569
3,4-Dithiapentan-1-ol
CID 15881341

Frequently Asked Questions

What is the IUPAC name of (1R)-1-sulfanylethanol;2-sulfanylethanol?
The IUPAC name of (1R)-1-sulfanylethanol;2-sulfanylethanol (CID 158071036) is (1R)-1-sulfanylethanol;2-sulfanylethanol.
What is the SMILES notation for (1R)-1-sulfanylethanol;2-sulfanylethanol?
The canonical SMILES for (1R)-1-sulfanylethanol;2-sulfanylethanol is C[C@H](O)S.OCCS.
What is the InChIKey of (1R)-1-sulfanylethanol;2-sulfanylethanol?
The InChIKey is FLUZBADEVUCQAE-HSHFZTNMSA-N. The full InChI is InChI=1S/2C2H6OS/c1-2(3)4;3-1-2-4/h2-4H,1H3;3-4H,1-2H2/t2-;/m1./s1.
What are the key properties of (1R)-1-sulfanylethanol;2-sulfanylethanol?
(1R)-1-sulfanylethanol;2-sulfanylethanol has a molecular weight of 156.27 g/mol, XLogP of 0.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-sulfanylethanol;2-sulfanylethanol is sourced from PubChem (CID 158071036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).