trisulfanylmethanethiol

CH4S4 — CID 175397562

IUPACtrisulfanylmethanethiol
SMILESSCSSS
InChIInChI=1S/CH4S4/c2-1-4-5-3/h2-3H,1H2
InChIKeyCAWUWSZFZAFEOV-UHFFFAOYSA-N
MW144.31 g/mol
LogP2.10
Rot. Bonds2

About trisulfanylmethanethiol

trisulfanylmethanethiol (PubChem CID 175397562) has the molecular formula CH4S4 and a molecular weight of 144.31 g/mol. Its IUPAC name is trisulfanylmethanethiol.

Molecular Properties

Compound Nametrisulfanylmethanethiol
PubChem CID175397562
Molecular FormulaCH4S4
Molecular Weight144.31 g/mol
Exact Mass143.92
IUPAC Nametrisulfanylmethanethiol
SMILESSCSSS
InChIInChI=1S/CH4S4/c2-1-4-5-3/h2-3H,1H2
InChIKeyCAWUWSZFZAFEOV-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', '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

(sulfanylmethyltrisulfanyl)methanethiol
CID 158238857
1-(disulfanyl)ethane-1,2-dithiol
CID 174625480
1-(trisulfanyl)nonane
CID 173204231
CID 173241697
CID 173241697
sulfanylmethylsulfanylmethylsulfanylmethanethiol
CID 15824431
(2R)-2-amino-3-(trisulfanyl)propanoic acid
CID 137350062
CID 175050533
CID 175050533
CID 174918466
CID 174918466
1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol
CID 141415810
methanedithiol;methylsulfanylmethane
CID 161461076
CID 140520822
CID 140520822
CID 175474606
CID 175474606

Frequently Asked Questions

What is the IUPAC name of trisulfanylmethanethiol?
The IUPAC name of trisulfanylmethanethiol (CID 175397562) is trisulfanylmethanethiol.
What is the SMILES notation for trisulfanylmethanethiol?
The canonical SMILES for trisulfanylmethanethiol is SCSSS.
What is the InChIKey of trisulfanylmethanethiol?
The InChIKey is CAWUWSZFZAFEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4S4/c2-1-4-5-3/h2-3H,1H2.
What are the key properties of trisulfanylmethanethiol?
trisulfanylmethanethiol has a molecular weight of 144.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisulfanylmethanethiol is sourced from PubChem (CID 175397562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).