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

C10H11ClS — CID 143932323

IUPAC(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene
SMILESC=C/C=c1/cc(C(C)Cl)sc1=C
InChIInChI=1S/C10H11ClS/c1-4-5-9-6-10(7(2)11)12-8(9)3/h4-7H,1,3H2,2H3/b9-5-
InChIKeyDCYVRWFPPXTQQU-UITAMQMPSA-N
MW198.72 g/mol
LogP2.42
Rot. Bonds2

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

(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene (PubChem CID 143932323) has the molecular formula C10H11ClS and a molecular weight of 198.72 g/mol. Its IUPAC name is (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene.

Molecular Properties

Compound Name(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene
PubChem CID143932323
Molecular FormulaC10H11ClS
Molecular Weight198.72 g/mol
Exact Mass198.03
IUPAC Name(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene
SMILESC=C/C=c1/cc(C(C)Cl)sc1=C
InChIInChI=1S/C10H11ClS/c1-4-5-9-6-10(7(2)11)12-8(9)3/h4-7H,1,3H2,2H3/b9-5-
InChIKeyDCYVRWFPPXTQQU-UITAMQMPSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.72
LogP ≤ 52.42
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

(2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene
CID 90291858
2-(1-Chloroprop-1-enylsulfanyl)-3-methylocta-1,3,5-triene
CID 123179986
3-Chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-lambda4-sulfane
CID 126684444
(2E,3Z)-3-ethylidene-5-methyl-2-prop-2-enylidenethiophene
CID 134186966
(2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene
CID 134186968
(3E,5Z)-7-chloro-2-methyl-4-methylsulfanylhepta-1,3,5-triene
CID 134377480
(2Z,4E)-1-chloro-6-methyl-4-methylsulfanylhepta-2,4-diene
CID 134377589
(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene
CID 134533652
(2E)-2-[(Z)-but-2-enylidene]-5-methyl-3-methylidenethiophene
CID 142103413
(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene
CID 142453176
(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene
CID 142937348
(3Z,5E)-6-[(3Z)-5-chloropenta-1,3-dien-2-yl]sulfanyl-3-methylhepta-1,3,5-triene;ethane
CID 143260700

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene?
The IUPAC name of (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene (CID 143932323) is (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene.
What is the SMILES notation for (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene?
The canonical SMILES for (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene is C=C/C=c1/cc(C(C)Cl)sc1=C.
What is the InChIKey of (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene?
The InChIKey is DCYVRWFPPXTQQU-UITAMQMPSA-N. The full InChI is InChI=1S/C10H11ClS/c1-4-5-9-6-10(7(2)11)12-8(9)3/h4-7H,1,3H2,2H3/b9-5-.
What are the key properties of (3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene?
(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene has a molecular weight of 198.72 g/mol, XLogP of 2.42, 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 is sourced from PubChem (CID 143932323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).