1-chloro-1,2-bis(ethylsulfanyl)ethene

C6H11ClS2 — CID 86104745

IUPAC1-chloro-1,2-bis(ethylsulfanyl)ethene
SMILESCCSC=C(Cl)SCC
InChIInChI=1S/C6H11ClS2/c1-3-8-5-6(7)9-4-2/h5H,3-4H2,1-2H3
InChIKeyAQLBSHLUMQJJSA-UHFFFAOYSA-N
MW182.74 g/mol
LogP3.53
Rot. Bonds4

About 1-chloro-1,2-bis(ethylsulfanyl)ethene

1-chloro-1,2-bis(ethylsulfanyl)ethene (PubChem CID 86104745) has the molecular formula C6H11ClS2 and a molecular weight of 182.74 g/mol. Its IUPAC name is 1-chloro-1,2-bis(ethylsulfanyl)ethene.

Molecular Properties

Compound Name1-chloro-1,2-bis(ethylsulfanyl)ethene
PubChem CID86104745
Molecular FormulaC6H11ClS2
Molecular Weight182.74 g/mol
Exact Mass182.00
IUPAC Name1-chloro-1,2-bis(ethylsulfanyl)ethene
SMILESCCSC=C(Cl)SCC
InChIInChI=1S/C6H11ClS2/c1-3-8-5-6(7)9-4-2/h5H,3-4H2,1-2H3
InChIKeyAQLBSHLUMQJJSA-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.74
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylsulfanylmethylidene)propanedioic acid
CID 87618262
(3E)-4-chloro-2-ethylsulfanylpenta-1,3-diene
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N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine
CID 138672631
(E)-1-chloro-2-ethylsulfanylethene
CID 131242842
ethanol;phosphane
CID 159788730
2,3,3,4,4-pentabromo-1-ethylsulfanylbut-1-ene
CID 23268941
S-ethyl N-(2-chloro-2-oxoethyl)carbamothioate
CID 130011162
ethane;(Z)-2-ethylsulfanylpent-2-ene
CID 143358355
ethanol;phosphane;hydrate
CID 175112469
(Z)-1-ethylsulfanylbut-1-ene
CID 5463148
CID 12591357
CID 12591357
1-ethylsulfanylethenolate
CID 101161982

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2-bis(ethylsulfanyl)ethene?
The IUPAC name of 1-chloro-1,2-bis(ethylsulfanyl)ethene (CID 86104745) is 1-chloro-1,2-bis(ethylsulfanyl)ethene.
What is the SMILES notation for 1-chloro-1,2-bis(ethylsulfanyl)ethene?
The canonical SMILES for 1-chloro-1,2-bis(ethylsulfanyl)ethene is CCSC=C(Cl)SCC.
What is the InChIKey of 1-chloro-1,2-bis(ethylsulfanyl)ethene?
The InChIKey is AQLBSHLUMQJJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClS2/c1-3-8-5-6(7)9-4-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-chloro-1,2-bis(ethylsulfanyl)ethene?
1-chloro-1,2-bis(ethylsulfanyl)ethene has a molecular weight of 182.74 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2-bis(ethylsulfanyl)ethene is sourced from PubChem (CID 86104745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).