3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol

C9H20S8 — CID 23072578

IUPAC3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol
SMILESSCC(S)CSCSCSCSCC(S)CS
InChIInChI=1S/C9H20S8/c10-1-8(12)3-14-5-16-7-17-6-15-4-9(13)2-11/h8-13H,1-7H2
InChIKeyBOBHAVDSNSQEOY-UHFFFAOYSA-N
MW384.80 g/mol
LogP4.25
Rot. Bonds12

About 3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol

3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol (PubChem CID 23072578) has the molecular formula C9H20S8 and a molecular weight of 384.80 g/mol. Its IUPAC name is 3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol.

Molecular Properties

Compound Name3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol
PubChem CID23072578
Molecular FormulaC9H20S8
Molecular Weight384.80 g/mol
Exact Mass383.93
IUPAC Name3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol
SMILESSCC(S)CSCSCSCSCC(S)CS
InChIInChI=1S/C9H20S8/c10-1-8(12)3-14-5-16-7-17-6-15-4-9(13)2-11/h8-13H,1-7H2
InChIKeyBOBHAVDSNSQEOY-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(sulfanylmethylsulfanyl)propane-1,2-dithiol
CID 23503994
3-[2-[2,3-bis(sulfanyl)propylsulfanyl]-3-sulfanylpropyl]sulfanylpropane-1,2-dithiol
CID 161244767
3-[2-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1,2-dithiol
CID 146406075
3-aminopropane-1,2-dithiol
CID 54490245
sulfanylmethylsulfanylmethylsulfanylmethanethiol
CID 15824431
3-[2,3-bis(sulfanyl)propoxy]propane-1,2-dithiol
CID 20502926
1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol
CID 141415810
1-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylbutane-2-thiol
CID 170374294
2,3-bis(sulfanyl)propylsulfanyl 2-methylprop-2-enoate
CID 129193873
pentane-1,2,5-trithiol
CID 87093666
3-[3-(2-hydroxyethylsulfanyl)-2-sulfanylpropyl]sulfanyl-2-(2-sulfanylethylsulfanyl)propan-1-ol
CID 153325254
2-(1-sulfanylpropan-2-ylsulfanyl)-3-(2-sulfanylpropylsulfanyl)propane-1-thiol
CID 146308393

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol?
The IUPAC name of 3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol (CID 23072578) is 3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol.
What is the SMILES notation for 3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol?
The canonical SMILES for 3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol is SCC(S)CSCSCSCSCC(S)CS.
What is the InChIKey of 3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol?
The InChIKey is BOBHAVDSNSQEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S8/c10-1-8(12)3-14-5-16-7-17-6-15-4-9(13)2-11/h8-13H,1-7H2.
What are the key properties of 3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol?
3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol has a molecular weight of 384.80 g/mol, XLogP of 4.25, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol is sourced from PubChem (CID 23072578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).