(2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene

C10H17ClS — CID 142222638

IUPAC(2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene
SMILESC/C=C\C(CSCC)=C(\Cl)CC
InChIInChI=1S/C10H17ClS/c1-4-7-9(8-12-6-3)10(11)5-2/h4,7H,5-6,8H2,1-3H3/b7-4-,10-9-
InChIKeyUDFVFUIOTJLYOY-NSPOTZJRSA-N
MW204.77 g/mol
LogP4.22
Rot. Bonds5

About (2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene

(2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene (PubChem CID 142222638) has the molecular formula C10H17ClS and a molecular weight of 204.77 g/mol. Its IUPAC name is (2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene
PubChem CID142222638
Molecular FormulaC10H17ClS
Molecular Weight204.77 g/mol
Exact Mass204.07
IUPAC Name(2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene
SMILESC/C=C\C(CSCC)=C(\Cl)CC
InChIInChI=1S/C10H17ClS/c1-4-7-9(8-12-6-3)10(11)5-2/h4,7H,5-6,8H2,1-3H3/b7-4-,10-9-
InChIKeyUDFVFUIOTJLYOY-NSPOTZJRSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.77
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Butyl furfuryl sulfide
CID 528325
(3E)-4-methyl-5-propan-2-ylsulfanylhepta-1,3-diene
CID 21034835
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CID 22555515
(5Z)-3-ethenyl-5-ethylidene-2H-thiopyran
CID 23558491
(3E,5S)-4-methyl-5-propan-2-ylsulfanylhepta-1,3-diene
CID 58597093
3-(Butylsulfanylmethyl)-7-methylcyclohepta-1,3,5-triene
CID 71172267
4-Methyl-5-propan-2-ylsulfanylhepta-1,3-diene
CID 73735611
3-ethenyl-5-ethylidene-2H-thiopyran
CID 74062563
2-(Tert-butylsulfanylmethyl)cyclopenta-1,3-diene;titanium;dihydrochloride
CID 87975701
2-(Butylsulfanylmethyl)cyclopenta-1,3-diene;titanium;dihydrochloride
CID 87977482
(3Z,5E)-4-ethylsulfanyl-5,8-dimethylnona-1,3,5,7-tetraene
CID 88673509
(3Z,5Z)-2-methyl-7-prop-1-en-2-ylsulfanylhepta-1,3,5-triene
CID 88865508

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene?
The IUPAC name of (2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene (CID 142222638) is (2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene is C/C=C\C(CSCC)=C(\Cl)CC.
What is the InChIKey of (2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene?
The InChIKey is UDFVFUIOTJLYOY-NSPOTZJRSA-N. The full InChI is InChI=1S/C10H17ClS/c1-4-7-9(8-12-6-3)10(11)5-2/h4,7H,5-6,8H2,1-3H3/b7-4-,10-9-.
What are the key properties of (2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene?
(2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene has a molecular weight of 204.77 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene is sourced from PubChem (CID 142222638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).