2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene

C11H14S2 — CID 142100989

IUPAC2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene
SMILESC=C/C=C\CSCc1ccc(C)s1
InChIInChI=1S/C11H14S2/c1-3-4-5-8-12-9-11-7-6-10(2)13-11/h3-7H,1,8-9H2,2H3/b5-4-
InChIKeyYZEKLBRWBNERJP-PLNGDYQASA-N
MW210.37 g/mol
LogP4.03
Rot. Bonds5

About 2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene

2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene (PubChem CID 142100989) has the molecular formula C11H14S2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene
PubChem CID142100989
Molecular FormulaC11H14S2
Molecular Weight210.37 g/mol
Exact Mass210.05
IUPAC Name2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene
SMILESC=C/C=C\CSCc1ccc(C)s1
InChIInChI=1S/C11H14S2/c1-3-4-5-8-12-9-11-7-6-10(2)13-11/h3-7H,1,8-9H2,2H3/b5-4-
InChIKeyYZEKLBRWBNERJP-PLNGDYQASA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5-methylthiophene
CID 130391131
ethane;ethene;2-[(2Z)-2-ethenylpenta-2,4-dienyl]-5-methylthiophene;methane
CID 142853630
2-ethyl-5-methylthiophene;formic acid
CID 143679762
(5-methylthiophen-2-yl)methanesulfinate
CID 69435081
acetylene;ethane;2-ethyl-5-methylthiophene
CID 143080420
2-(5-methylthiophen-2-yl)ethanethiol
CID 55274892
2-(methoxymethyl)-5-methylthiophene
CID 15121011
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene
CID 142216426
ethane;2-[(3Z)-hexa-1,3,5-trien-2-yl]-5-methylthiophene
CID 164530728
(5-methylthiophen-2-yl)methyl but-3-enoate
CID 132533732
(3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene
CID 143284649
(2S)-3-[(5-methylthiophen-2-yl)methylamino]propane-1,2-diol
CID 62056240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene?
The IUPAC name of 2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene (CID 142100989) is 2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene.
What is the SMILES notation for 2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene?
The canonical SMILES for 2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene is C=C/C=C\CSCc1ccc(C)s1.
What is the InChIKey of 2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene?
The InChIKey is YZEKLBRWBNERJP-PLNGDYQASA-N. The full InChI is InChI=1S/C11H14S2/c1-3-4-5-8-12-9-11-7-6-10(2)13-11/h3-7H,1,8-9H2,2H3/b5-4-.
What are the key properties of 2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene?
2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene has a molecular weight of 210.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2Z)-penta-2,4-dienyl]sulfanylmethyl]thiophene is sourced from PubChem (CID 142100989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).