bis(prop-2-enylsulfanyl)methanethione

C7H10S3 — CID 6452745

IUPACbis(prop-2-enylsulfanyl)methanethione
SMILESC=CCSC(=S)SCC=C
InChIInChI=1S/C7H10S3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKeyDYSMOGGGBHQVBC-UHFFFAOYSA-N
MW190.36 g/mol
LogP3.11
Rot. Bonds4

About bis(prop-2-enylsulfanyl)methanethione

bis(prop-2-enylsulfanyl)methanethione (PubChem CID 6452745) has the molecular formula C7H10S3 and a molecular weight of 190.36 g/mol. Its IUPAC name is bis(prop-2-enylsulfanyl)methanethione.

Molecular Properties

Compound Namebis(prop-2-enylsulfanyl)methanethione
PubChem CID6452745
Molecular FormulaC7H10S3
Molecular Weight190.36 g/mol
Exact Mass189.99
IUPAC Namebis(prop-2-enylsulfanyl)methanethione
SMILESC=CCSC(=S)SCC=C
InChIInChI=1S/C7H10S3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKeyDYSMOGGGBHQVBC-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enylsulfanyl)methanethione?
The IUPAC name of bis(prop-2-enylsulfanyl)methanethione (CID 6452745) is bis(prop-2-enylsulfanyl)methanethione.
What is the SMILES notation for bis(prop-2-enylsulfanyl)methanethione?
The canonical SMILES for bis(prop-2-enylsulfanyl)methanethione is C=CCSC(=S)SCC=C.
What is the InChIKey of bis(prop-2-enylsulfanyl)methanethione?
The InChIKey is DYSMOGGGBHQVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of bis(prop-2-enylsulfanyl)methanethione?
bis(prop-2-enylsulfanyl)methanethione has a molecular weight of 190.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enylsulfanyl)methanethione is sourced from PubChem (CID 6452745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).