2-chloro-3-propylsulfanylprop-1-ene

C6H11ClS — CID 126994344

IUPAC2-chloro-3-propylsulfanylprop-1-ene
SMILESC=C(Cl)CSCCC
InChIInChI=1S/C6H11ClS/c1-3-4-8-5-6(2)7/h2-5H2,1H3
InChIKeyCCLMFNSTMZSZRH-UHFFFAOYSA-N
MW150.67 g/mol
LogP2.88
Rot. Bonds4

About 2-chloro-3-propylsulfanylprop-1-ene

2-chloro-3-propylsulfanylprop-1-ene (PubChem CID 126994344) has the molecular formula C6H11ClS and a molecular weight of 150.67 g/mol. Its IUPAC name is 2-chloro-3-propylsulfanylprop-1-ene.

Molecular Properties

Compound Name2-chloro-3-propylsulfanylprop-1-ene
PubChem CID126994344
Molecular FormulaC6H11ClS
Molecular Weight150.67 g/mol
Exact Mass150.03
IUPAC Name2-chloro-3-propylsulfanylprop-1-ene
SMILESC=C(Cl)CSCCC
InChIInChI=1S/C6H11ClS/c1-3-4-8-5-6(2)7/h2-5H2,1H3
InChIKeyCCLMFNSTMZSZRH-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.67
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-propylsulfanylprop-1-ene?
The IUPAC name of 2-chloro-3-propylsulfanylprop-1-ene (CID 126994344) is 2-chloro-3-propylsulfanylprop-1-ene.
What is the SMILES notation for 2-chloro-3-propylsulfanylprop-1-ene?
The canonical SMILES for 2-chloro-3-propylsulfanylprop-1-ene is C=C(Cl)CSCCC.
What is the InChIKey of 2-chloro-3-propylsulfanylprop-1-ene?
The InChIKey is CCLMFNSTMZSZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClS/c1-3-4-8-5-6(2)7/h2-5H2,1H3.
What are the key properties of 2-chloro-3-propylsulfanylprop-1-ene?
2-chloro-3-propylsulfanylprop-1-ene has a molecular weight of 150.67 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propylsulfanylprop-1-ene is sourced from PubChem (CID 126994344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).