2-(methylsulfanylmethyl)-5-pentylthiophene

C11H18S2 — CID 172739134

IUPAC2-(methylsulfanylmethyl)-5-pentylthiophene
SMILESCCCCCc1ccc(CSC)s1
InChIInChI=1S/C11H18S2/c1-3-4-5-6-10-7-8-11(13-10)9-12-2/h7-8H,3-6,9H2,1-2H3
InChIKeyIVUKPGSOEPRKRU-UHFFFAOYSA-N
MW214.40 g/mol
LogP4.34
Rot. Bonds6

About 2-(methylsulfanylmethyl)-5-pentylthiophene

2-(methylsulfanylmethyl)-5-pentylthiophene (PubChem CID 172739134) has the molecular formula C11H18S2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-5-pentylthiophene.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-5-pentylthiophene
PubChem CID172739134
Molecular FormulaC11H18S2
Molecular Weight214.40 g/mol
Exact Mass214.08
IUPAC Name2-(methylsulfanylmethyl)-5-pentylthiophene
SMILESCCCCCc1ccc(CSC)s1
InChIInChI=1S/C11H18S2/c1-3-4-5-6-10-7-8-11(13-10)9-12-2/h7-8H,3-6,9H2,1-2H3
InChIKeyIVUKPGSOEPRKRU-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-diheptylthiophene
CID 607114
2-dodecyl-5-ethylthiophene
CID 528251
2-ethyl-5-(methylsulfanylmethyl)thiophene
CID 54083779
2-(4-bromobutyl)-5-octylthiophene
CID 132557960
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319
2-pentyl-5-(trifluoromethyl)thiophene
CID 143267896
2-tert-butyl-5-decylthiophene
CID 140589356
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
tributyl-(5-dodecylthiophen-2-yl)stannane
CID 68652035
2,5-dipropylthiophene
CID 587485
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-5-pentylthiophene?
The IUPAC name of 2-(methylsulfanylmethyl)-5-pentylthiophene (CID 172739134) is 2-(methylsulfanylmethyl)-5-pentylthiophene.
What is the SMILES notation for 2-(methylsulfanylmethyl)-5-pentylthiophene?
The canonical SMILES for 2-(methylsulfanylmethyl)-5-pentylthiophene is CCCCCc1ccc(CSC)s1.
What is the InChIKey of 2-(methylsulfanylmethyl)-5-pentylthiophene?
The InChIKey is IVUKPGSOEPRKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S2/c1-3-4-5-6-10-7-8-11(13-10)9-12-2/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-(methylsulfanylmethyl)-5-pentylthiophene?
2-(methylsulfanylmethyl)-5-pentylthiophene has a molecular weight of 214.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-5-pentylthiophene is sourced from PubChem (CID 172739134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).