3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene

C10H16Cl2S2 — CID 137346063

IUPAC3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene
SMILESCC(Cl)=CCSCCSCC=C(C)Cl
InChIInChI=1S/C10H16Cl2S2/c1-9(11)3-5-13-7-8-14-6-4-10(2)12/h3-4H,5-8H2,1-2H3
InChIKeyQKQSJNRZWWSFON-UHFFFAOYSA-N
MW271.28 g/mol
LogP4.74
Rot. Bonds7

About 3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene

3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene (PubChem CID 137346063) has the molecular formula C10H16Cl2S2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene.

Molecular Properties

Compound Name3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene
PubChem CID137346063
Molecular FormulaC10H16Cl2S2
Molecular Weight271.28 g/mol
Exact Mass270.01
IUPAC Name3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene
SMILESCC(Cl)=CCSCCSCC=C(C)Cl
InChIInChI=1S/C10H16Cl2S2/c1-9(11)3-5-13-7-8-14-6-4-10(2)12/h3-4H,5-8H2,1-2H3
InChIKeyQKQSJNRZWWSFON-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene?
The IUPAC name of 3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene (CID 137346063) is 3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene.
What is the SMILES notation for 3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene?
The canonical SMILES for 3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene is CC(Cl)=CCSCCSCC=C(C)Cl.
What is the InChIKey of 3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene?
The InChIKey is QKQSJNRZWWSFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2S2/c1-9(11)3-5-13-7-8-14-6-4-10(2)12/h3-4H,5-8H2,1-2H3.
What are the key properties of 3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene?
3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene has a molecular weight of 271.28 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(3-chlorobut-2-enylsulfanyl)ethylsulfanyl]but-2-ene is sourced from PubChem (CID 137346063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).