3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol

C10H22O4S3 — CID 23072601

IUPAC3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol
SMILESOCCSCC(CO)SC(CO)CSCCO
InChIInChI=1S/C10H22O4S3/c11-1-3-15-7-9(5-13)17-10(6-14)8-16-4-2-12/h9-14H,1-8H2
InChIKeyVLVXLTJZSAKGOZ-UHFFFAOYSA-N
MW302.48 g/mol
LogP-0.11
Rot. Bonds12

About 3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol

3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol (PubChem CID 23072601) has the molecular formula C10H22O4S3 and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol
PubChem CID23072601
Molecular FormulaC10H22O4S3
Molecular Weight302.48 g/mol
Exact Mass302.07
IUPAC Name3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol
SMILESOCCSCC(CO)SC(CO)CSCCO
InChIInChI=1S/C10H22O4S3/c11-1-3-15-7-9(5-13)17-10(6-14)8-16-4-2-12/h9-14H,1-8H2
InChIKeyVLVXLTJZSAKGOZ-UHFFFAOYSA-N
XLogP-0.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-hydroxyethylsulfanyl)-2-sulfanylpropyl]sulfanyl-2-(2-sulfanylethylsulfanyl)propan-1-ol
CID 153325254
2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol
CID 54291740
2-[(2R)-1-[2-[(2S)-2-(2-hydroxyethylsulfanyl)-3-sulfanylpropyl]sulfanylethylsulfanyl]-3-sulfanylpropan-2-yl]sulfanylethanol
CID 150798859
(2S)-1-(2-hydroxyethylsulfanyl)butan-2-ol
CID 130572118
2-[(2R)-2-(2-hydroxyethylsulfanyl)propyl]sulfanylethanol
CID 40543861
1-(2-hydroxyethylsulfanyl)butane-2,3-diol
CID 23362546
2,3-bis(3-aminopropylsulfanyl)propan-1-ol
CID 86169687
1-(2-hydroxyethylsulfanyl)-3-[2-hydroxy-3-(2-hydroxyethylsulfanyl)propyl]sulfanylpropan-2-ol;3-propylsulfanyl-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol;2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol;3-(2-sulfanylethylsulfanyl)-2-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol
CID 158693477
1-[2-chloro-3-(2-hydroxyethylsulfanyl)propyl]sulfanyl-3-(2-hydroxyethylsulfanyl)propan-2-ol
CID 150223209
3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
CID 23083486
methyl (2R)-2-amino-3-(2-hydroxyethylsulfanyl)propanoate
CID 12858851
2-[2-(ethylamino)butylsulfanyl]ethanol
CID 64612947

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol?
The IUPAC name of 3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol (CID 23072601) is 3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol?
The canonical SMILES for 3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol is OCCSCC(CO)SC(CO)CSCCO.
What is the InChIKey of 3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol?
The InChIKey is VLVXLTJZSAKGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S3/c11-1-3-15-7-9(5-13)17-10(6-14)8-16-4-2-12/h9-14H,1-8H2.
What are the key properties of 3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol?
3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol has a molecular weight of 302.48 g/mol, XLogP of -0.11, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylsulfanyl)-2-[1-hydroxy-3-(2-hydroxyethylsulfanyl)propan-2-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 23072601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).