(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane

C12H17ClS — CID 143932322

IUPAC(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane
SMILESC=C/C=c1/cc(C(C)Cl)sc1=C.CC
InChIInChI=1S/C10H11ClS.C2H6/c1-4-5-9-6-10(7(2)11)12-8(9)3;1-2/h4-7H,1,3H2,2H3;1-2H3/b9-5-;
InChIKeyBHEQHYNNBICYKA-UYTGOYFPSA-N
MW228.79 g/mol
LogP3.45
Rot. Bonds2

About (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane

(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane (PubChem CID 143932322) has the molecular formula C12H17ClS and a molecular weight of 228.79 g/mol. Its IUPAC name is (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane.

Molecular Properties

Compound Name(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane
PubChem CID143932322
Molecular FormulaC12H17ClS
Molecular Weight228.79 g/mol
Exact Mass228.07
IUPAC Name(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane
SMILESC=C/C=c1/cc(C(C)Cl)sc1=C.CC
InChIInChI=1S/C10H11ClS.C2H6/c1-4-5-9-6-10(7(2)11)12-8(9)3;1-2/h4-7H,1,3H2,2H3;1-2H3/b9-5-;
InChIKeyBHEQHYNNBICYKA-UYTGOYFPSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.79
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-5-(ethylsulfanylmethyl)hepta-2,4-diene
CID 91549283
2-(1-Chloroprop-1-enylsulfanyl)-3-methylocta-1,3,5-triene
CID 123179986
2-Ethylidene-4,5-bis(prop-1-enyl)-3-prop-2-enylidenethiophene
CID 123767942
(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene
CID 126515640
3-Chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-lambda4-sulfane
CID 126684444
(4Z,5E)-3-ethenyl-4-ethylidene-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiophene
CID 129075271
(4Z,5E)-3-ethenyl-2-[(Z)-prop-1-enyl]-4,5-bis(prop-2-enylidene)thiophene
CID 130206805
(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]thiophene
CID 130278923
(3E,5Z)-7-chloro-2-methyl-4-methylsulfanylhepta-1,3,5-triene
CID 134377480
(2E)-2-[(E)-2-ethenyl-3-prop-1-en-2-ylsulfanylbut-2-enylidene]-5-methyl-3H-thiophene
CID 138614459
(4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene
CID 139336791
(2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene
CID 139376150

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane?
The IUPAC name of (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane (CID 143932322) is (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane.
What is the SMILES notation for (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane?
The canonical SMILES for (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane is C=C/C=c1/cc(C(C)Cl)sc1=C.CC.
What is the InChIKey of (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane?
The InChIKey is BHEQHYNNBICYKA-UYTGOYFPSA-N. The full InChI is InChI=1S/C10H11ClS.C2H6/c1-4-5-9-6-10(7(2)11)12-8(9)3;1-2/h4-7H,1,3H2,2H3;1-2H3/b9-5-;.
What are the key properties of (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane?
(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane has a molecular weight of 228.79 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane is sourced from PubChem (CID 143932322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).