3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene

C9H15ClS — CID 174306053

IUPAC3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene
SMILESC=CCCl.C=CCSCC=C
InChIInChI=1S/C6H10S.C3H5Cl/c1-3-5-7-6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2H,1,3H2
InChIKeyJYKRIFHITZPKES-UHFFFAOYSA-N
MW190.74 g/mol
LogP3.50
Rot. Bonds5

About 3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene

3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene (PubChem CID 174306053) has the molecular formula C9H15ClS and a molecular weight of 190.74 g/mol. Its IUPAC name is 3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene.

Molecular Properties

Compound Name3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene
PubChem CID174306053
Molecular FormulaC9H15ClS
Molecular Weight190.74 g/mol
Exact Mass190.06
IUPAC Name3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene
SMILESC=CCCl.C=CCSCC=C
InChIInChI=1S/C6H10S.C3H5Cl/c1-3-5-7-6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2H,1,3H2
InChIKeyJYKRIFHITZPKES-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.74
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene?
The IUPAC name of 3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene (CID 174306053) is 3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene.
What is the SMILES notation for 3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene?
The canonical SMILES for 3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene is C=CCCl.C=CCSCC=C.
What is the InChIKey of 3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene?
The InChIKey is JYKRIFHITZPKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S.C3H5Cl/c1-3-5-7-6-4-2;1-2-3-4/h3-4H,1-2,5-6H2;2H,1,3H2.
What are the key properties of 3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene?
3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene has a molecular weight of 190.74 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-1-ene;3-prop-2-enylsulfanylprop-1-ene is sourced from PubChem (CID 174306053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).