sulfanylmethylsulfanylmethylsulfanylmethanethiol

C3H8S4 — CID 15824431

IUPACsulfanylmethylsulfanylmethylsulfanylmethanethiol
SMILESSCSCSCS
InChIInChI=1S/C3H8S4/c4-1-6-3-7-2-5/h4-5H,1-3H2
InChIKeyQNITWMBGUWZSSI-UHFFFAOYSA-N
MW172.36 g/mol
LogP2.18
Rot. Bonds4

About sulfanylmethylsulfanylmethylsulfanylmethanethiol

sulfanylmethylsulfanylmethylsulfanylmethanethiol (PubChem CID 15824431) has the molecular formula C3H8S4 and a molecular weight of 172.36 g/mol. Its IUPAC name is sulfanylmethylsulfanylmethylsulfanylmethanethiol.

Molecular Properties

Compound Namesulfanylmethylsulfanylmethylsulfanylmethanethiol
PubChem CID15824431
Molecular FormulaC3H8S4
Molecular Weight172.36 g/mol
Exact Mass171.95
IUPAC Namesulfanylmethylsulfanylmethylsulfanylmethanethiol
SMILESSCSCSCS
InChIInChI=1S/C3H8S4/c4-1-6-3-7-2-5/h4-5H,1-3H2
InChIKeyQNITWMBGUWZSSI-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol
CID 139816281
4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol
CID 139816252
1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol
CID 141415810
ethylsulfanylmethanethiol;methane
CID 158074860
3-(sulfanylmethylsulfanyl)propane-1,2-dithiol
CID 23503994
2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol
CID 160544641
3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol
CID 23072578
methane;3-(sulfanylmethylsulfanyl)-2-[1-sulfanyl-3-(sulfanylmethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
CID 159406281
[2,3,4,5-tetrachloro-6-(sulfanylmethylsulfanylmethyl)phenyl]methylsulfanylmethanethiol
CID 141299095
(sulfanylmethyltrisulfanyl)methanethiol
CID 158238857
2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
(2,2-difluorocyclopropyl)methylsulfanylmethanethiol
CID 162588124

Frequently Asked Questions

What is the IUPAC name of sulfanylmethylsulfanylmethylsulfanylmethanethiol?
The IUPAC name of sulfanylmethylsulfanylmethylsulfanylmethanethiol (CID 15824431) is sulfanylmethylsulfanylmethylsulfanylmethanethiol.
What is the SMILES notation for sulfanylmethylsulfanylmethylsulfanylmethanethiol?
The canonical SMILES for sulfanylmethylsulfanylmethylsulfanylmethanethiol is SCSCSCS.
What is the InChIKey of sulfanylmethylsulfanylmethylsulfanylmethanethiol?
The InChIKey is QNITWMBGUWZSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S4/c4-1-6-3-7-2-5/h4-5H,1-3H2.
What are the key properties of sulfanylmethylsulfanylmethylsulfanylmethanethiol?
sulfanylmethylsulfanylmethylsulfanylmethanethiol has a molecular weight of 172.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanylmethylsulfanylmethylsulfanylmethanethiol is sourced from PubChem (CID 15824431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).