2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene

C10H12S2 — CID 170259290

IUPAC2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene
SMILESCC1CC=C(Cc2cccs2)S1
InChIInChI=1S/C10H12S2/c1-8-4-5-10(12-8)7-9-3-2-6-11-9/h2-3,5-6,8H,4,7H2,1H3
InChIKeyMAAMGTRNSASERX-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.70
Rot. Bonds2

About 2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene

2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene (PubChem CID 170259290) has the molecular formula C10H12S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene
PubChem CID170259290
Molecular FormulaC10H12S2
Molecular Weight196.34 g/mol
Exact Mass196.04
IUPAC Name2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene
SMILESCC1CC=C(Cc2cccs2)S1
InChIInChI=1S/C10H12S2/c1-8-4-5-10(12-8)7-9-3-2-6-11-9/h2-3,5-6,8H,4,7H2,1H3
InChIKeyMAAMGTRNSASERX-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174452865
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CID 15537513
N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene?
The IUPAC name of 2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene (CID 170259290) is 2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene?
The canonical SMILES for 2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene is CC1CC=C(Cc2cccs2)S1.
What is the InChIKey of 2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene?
The InChIKey is MAAMGTRNSASERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S2/c1-8-4-5-10(12-8)7-9-3-2-6-11-9/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene?
2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene has a molecular weight of 196.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene is sourced from PubChem (CID 170259290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).