tetratriacontane-1,17-dithiol

C34H70S2 — CID 57207387

IUPACtetratriacontane-1,17-dithiol
SMILESCCCCCCCCCCCCCCCCCC(S)CCCCCCCCCCCCCCCCS
InChIInChI=1S/C34H70S2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34(36)32-29-26-23-20-17-14-11-12-15-18-21-24-27-30-33-35/h34-36H,2-33H2,1H3
InChIKeyVKLIRGPWFWKLSG-UHFFFAOYSA-N
MW543.07 g/mol
LogP13.33
Rot. Bonds32

About tetratriacontane-1,17-dithiol

tetratriacontane-1,17-dithiol (PubChem CID 57207387) has the molecular formula C34H70S2 and a molecular weight of 543.07 g/mol. Its IUPAC name is tetratriacontane-1,17-dithiol.

Molecular Properties

Compound Nametetratriacontane-1,17-dithiol
PubChem CID57207387
Molecular FormulaC34H70S2
Molecular Weight543.07 g/mol
Exact Mass542.49
IUPAC Nametetratriacontane-1,17-dithiol
SMILESCCCCCCCCCCCCCCCCCC(S)CCCCCCCCCCCCCCCCS
InChIInChI=1S/C34H70S2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34(36)32-29-26-23-20-17-14-11-12-15-18-21-24-27-30-33-35/h34-36H,2-33H2,1H3
InChIKeyVKLIRGPWFWKLSG-UHFFFAOYSA-N
XLogP13.33
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.07
LogP ≤ 513.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecane-6-thiol
CID 18757094
decane-1,2-dithiol
CID 11229528
5-pentyldodecane-1-thiol
CID 57231870
5-sulfanylhexadecane-1,1-diol
CID 57290183
octadecane-1-thiol;octane-1-thiol
CID 158706451
decane-1-thiol;undecane-1-thiol
CID 174806736
decane-1-thiol
CID 8917
dodecane-1-thiol
CID 8195
5-butyltetradecane-1-thiol
CID 57296634
7-ethylpentadecane-1-thiol
CID 57129147
1-aminooctacosane-10-thiol
CID 123711859
6-ethyltetradecane-1-thiol
CID 57128537

Frequently Asked Questions

What is the IUPAC name of tetratriacontane-1,17-dithiol?
The IUPAC name of tetratriacontane-1,17-dithiol (CID 57207387) is tetratriacontane-1,17-dithiol.
What is the SMILES notation for tetratriacontane-1,17-dithiol?
The canonical SMILES for tetratriacontane-1,17-dithiol is CCCCCCCCCCCCCCCCCC(S)CCCCCCCCCCCCCCCCS.
What is the InChIKey of tetratriacontane-1,17-dithiol?
The InChIKey is VKLIRGPWFWKLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70S2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34(36)32-29-26-23-20-17-14-11-12-15-18-21-24-27-30-33-35/h34-36H,2-33H2,1H3.
What are the key properties of tetratriacontane-1,17-dithiol?
tetratriacontane-1,17-dithiol has a molecular weight of 543.07 g/mol, XLogP of 13.33, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetratriacontane-1,17-dithiol is sourced from PubChem (CID 57207387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).