2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea

C11H24N2OS6 — CID 175964697

IUPAC2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea
SMILESNC(=S)NCCSC(CS)CSCC(O)CSCCS
InChIInChI=1S/C11H24N2OS6/c12-11(17)13-1-3-20-10(5-16)8-19-7-9(14)6-18-4-2-15/h9-10,14-16H,1-8H2,(H3,12,13,17)
InChIKeyZUYRWWHROXRIHD-UHFFFAOYSA-N
MW392.73 g/mol
LogP1.61
Rot. Bonds13

About 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea

2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea (PubChem CID 175964697) has the molecular formula C11H24N2OS6 and a molecular weight of 392.73 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea.

Molecular Properties

Compound Name2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea
PubChem CID175964697
Molecular FormulaC11H24N2OS6
Molecular Weight392.73 g/mol
Exact Mass392.02
IUPAC Name2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea
SMILESNC(=S)NCCSC(CS)CSCC(O)CSCCS
InChIInChI=1S/C11H24N2OS6/c12-11(17)13-1-3-20-10(5-16)8-19-7-9(14)6-18-4-2-15/h9-10,14-16H,1-8H2,(H3,12,13,17)
InChIKeyZUYRWWHROXRIHD-UHFFFAOYSA-N
XLogP1.61
TPSA58.28 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.73
LogP ≤ 51.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea with MolForge

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Related Compounds

2-propylsulfanyl-3-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 20695357
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-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-ol
CID 139922252
2-[2,3-bis(2-sulfanylethylsulfanyl)propylsulfanyl]ethane-1,1-diol
CID 141470064
2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol;2-sulfanylpropane-1,3-diol
CID 163915227
3-(2-sulfanylethylsulfanyl)-2-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
CID 23083486
2-[(2R)-1-[2-[(2S)-2-(2-hydroxyethylsulfanyl)-3-sulfanylpropyl]sulfanylethylsulfanyl]-3-sulfanylpropan-2-yl]sulfanylethanol
CID 150798859
[2-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-(2-sulfanylethylsulfanyl)propyl] carbamimidothioate
CID 153348231
3-(2-sulfanylethylsulfanyl)-2-[1-(2-sulfanylethylsulfanyl)butan-2-ylsulfanyl]propane-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 160834171
4-[1-sulfanyl-3-[1-sulfanyl-3-(2-sulfanylethylsulfanyl)propan-2-yl]sulfanylpropan-2-yl]sulfanylbutane-2-thiol
CID 175462193
1-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylbutane-2-thiol
CID 170374294
3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 155237339

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea?
The IUPAC name of 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea (CID 175964697) is 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea.
What is the SMILES notation for 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea?
The canonical SMILES for 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea is NC(=S)NCCSC(CS)CSCC(O)CSCCS.
What is the InChIKey of 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea?
The InChIKey is ZUYRWWHROXRIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS6/c12-11(17)13-1-3-20-10(5-16)8-19-7-9(14)6-18-4-2-15/h9-10,14-16H,1-8H2,(H3,12,13,17).
What are the key properties of 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea?
2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea has a molecular weight of 392.73 g/mol, XLogP of 1.61, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-3-(2-sulfanylethylsulfanyl)propyl]sulfanyl-3-sulfanylpropan-2-yl]sulfanylethylthiourea is sourced from PubChem (CID 175964697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).