2,3-bis(sulfanyl)propan-1-ol

C3H8OS2 — CID 3080

💊View drug profile → dimercaprol
IUPAC2,3-bis(sulfanyl)propan-1-ol
SMILESOCC(S)CS
InChIInChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyWQABCVAJNWAXTE-UHFFFAOYSA-N
MW124.23 g/mol
LogP0.21
Rot. Bonds2

About 2,3-bis(sulfanyl)propan-1-ol

2,3-bis(sulfanyl)propan-1-ol (PubChem CID 3080) has the molecular formula C3H8OS2 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2,3-bis(sulfanyl)propan-1-ol.

Molecular Properties

Compound Name2,3-bis(sulfanyl)propan-1-ol
PubChem CID3080
Molecular FormulaC3H8OS2
Molecular Weight124.23 g/mol
Exact Mass124.00
IUPAC Name2,3-bis(sulfanyl)propan-1-ol
SMILESOCC(S)CS
InChIInChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyWQABCVAJNWAXTE-UHFFFAOYSA-N
XLogP0.21
TPSA20.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Mercaptopropanol
CID 88211
1,3-Dimercapto-2-propanol
CID 68505
Dimercaprol, (S)-
CID 3246063
3-Sulfanyl-2-(sulfanylmethyl)propan-1-ol
CID 87063810
2-Mercaptopropanol
CID 102921
4-Sulfanylbutan-1-ol
CID 548261
1,4-Butanediol, 2,3-dimercapto-
CID 474210
CID 54604911
CID 54604911
Dimercaprol, (R)-
CID 6971262
1-Sulfanylpropan-1-ol
CID 3017470
1,4-Bis(sulfanyl)butan-2-ol
CID 184920
3-(Methyldisulfanyl)propan-1-ol
CID 86053359

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(sulfanyl)propan-1-ol?
The IUPAC name of 2,3-bis(sulfanyl)propan-1-ol (CID 3080) is 2,3-bis(sulfanyl)propan-1-ol.
What is the SMILES notation for 2,3-bis(sulfanyl)propan-1-ol?
The canonical SMILES for 2,3-bis(sulfanyl)propan-1-ol is OCC(S)CS.
What is the InChIKey of 2,3-bis(sulfanyl)propan-1-ol?
The InChIKey is WQABCVAJNWAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2.
What are the key properties of 2,3-bis(sulfanyl)propan-1-ol?
2,3-bis(sulfanyl)propan-1-ol has a molecular weight of 124.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(sulfanyl)propan-1-ol is sourced from PubChem (CID 3080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).