ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene

C17H28S — CID 143019215

IUPACethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene
SMILESC/C=c1/cccc2c1=C(C)C(C)(C)S2.CC.CC
InChIInChI=1S/C13H16S.2C2H6/c1-5-10-7-6-8-11-12(10)9(2)13(3,4)14-11;2*1-2/h5-8H,1-4H3;2*1-2H3/b10-5-;;
InChIKeyVXMOHUPXXCOEMJ-KGEBAWAISA-N
MW264.48 g/mol
LogP4.59
Rot. Bonds

About ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene

ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene (PubChem CID 143019215) has the molecular formula C17H28S and a molecular weight of 264.48 g/mol. Its IUPAC name is ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene.

Molecular Properties

Compound Nameethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene
PubChem CID143019215
Molecular FormulaC17H28S
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Nameethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene
SMILESC/C=c1/cccc2c1=C(C)C(C)(C)S2.CC.CC
InChIInChI=1S/C13H16S.2C2H6/c1-5-10-7-6-8-11-12(10)9(2)13(3,4)14-11;2*1-2/h5-8H,1-4H3;2*1-2H3/b10-5-;;
InChIKeyVXMOHUPXXCOEMJ-KGEBAWAISA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2,3-Bis(tert-butylsulfanyl)cycloprop-2-en-1-ylidene]cyclopenta-1,3-diene
CID 13020089
(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene
CID 145203814
(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
CID 145203819
(2Z,4E)-5-buta-1,3-dien-2-ylsulfanyl-7-fluoro-7-methyl-6-methylideneocta-2,4-diene
CID 156057037
Butyl furfuryl sulfide
CID 528325
Isobutyl furfuryl sulfide
CID 528331
6-Methyl-3a,4-dihydro-1-benzothiophene
CID 22928876
carbanide;3-methyl-1H-2-benzothiophen-1-ide;yttrium
CID 57896266
2-Methyl-3a,7a-dihydro-1-benzothiophene
CID 58760220
6-(2-methylpropyl)-5-propan-2-yl-2H-thiopyran
CID 59139246
3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene
CID 67251212
2-Tert-butyl-3a,7a-dihydro-1-benzothiophene
CID 68040891

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene?
The IUPAC name of ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene (CID 143019215) is ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene.
What is the SMILES notation for ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene?
The canonical SMILES for ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene is C/C=c1/cccc2c1=C(C)C(C)(C)S2.CC.CC.
What is the InChIKey of ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene?
The InChIKey is VXMOHUPXXCOEMJ-KGEBAWAISA-N. The full InChI is InChI=1S/C13H16S.2C2H6/c1-5-10-7-6-8-11-12(10)9(2)13(3,4)14-11;2*1-2/h5-8H,1-4H3;2*1-2H3/b10-5-;;.
What are the key properties of ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene?
ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene has a molecular weight of 264.48 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-4-ethylidene-2,2,3-trimethyl-1-benzothiophene is sourced from PubChem (CID 143019215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).