2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene

C15H16S — CID 144876169

IUPAC2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene
SMILESC=Cc1c(C/C=C\C)sc2ccc(C)cc12
InChIInChI=1S/C15H16S/c1-4-6-7-14-12(5-2)13-10-11(3)8-9-15(13)16-14/h4-6,8-10H,2,7H2,1,3H3/b6-4-
InChIKeyXCLKAGHXNUJZQX-XQRVVYSFSA-N
MW228.36 g/mol
LogP4.97
Rot. Bonds3

About 2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene

2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene (PubChem CID 144876169) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene
PubChem CID144876169
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene
SMILESC=Cc1c(C/C=C\C)sc2ccc(C)cc12
InChIInChI=1S/C15H16S/c1-4-6-7-14-12(5-2)13-10-11(3)8-9-15(13)16-14/h4-6,8-10H,2,7H2,1,3H3/b6-4-
InChIKeyXCLKAGHXNUJZQX-XQRVVYSFSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
CID 174370194
2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
CID 130914616
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
2-methyl-8-propyldibenzothiophene
CID 144955696
ethane;1-ethenyl-2-ethyl-7-methylnaphthalene
CID 142614708
3-[[5-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-1-benzothiophen-2-yl]methyl]-9H-carbazole
CID 88574117
3-amino-5-methyl-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 107932072
9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene
CID 167485160
3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole
CID 144680666
N-butyl-3,5-dimethyl-1-benzothiophene-2-sulfonamide
CID 143182513
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822
N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
CID 114377984

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene?
The IUPAC name of 2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene (CID 144876169) is 2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene.
What is the SMILES notation for 2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene?
The canonical SMILES for 2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene is C=Cc1c(C/C=C\C)sc2ccc(C)cc12.
What is the InChIKey of 2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene?
The InChIKey is XCLKAGHXNUJZQX-XQRVVYSFSA-N. The full InChI is InChI=1S/C15H16S/c1-4-6-7-14-12(5-2)13-10-11(3)8-9-15(13)16-14/h4-6,8-10H,2,7H2,1,3H3/b6-4-.
What are the key properties of 2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene?
2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene has a molecular weight of 228.36 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]-3-ethenyl-5-methyl-1-benzothiophene is sourced from PubChem (CID 144876169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).