2-methyl-5-(2-methylphospholan-3-yl)thiophene

C10H15PS — CID 170000976

IUPAC2-methyl-5-(2-methylphospholan-3-yl)thiophene
SMILESCc1ccc(C2CCPC2C)s1
InChIInChI=1S/C10H15PS/c1-7-3-4-10(12-7)9-5-6-11-8(9)2/h3-4,8-9,11H,5-6H2,1-2H3
InChIKeyIKKWCIMKJNWBQH-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.61
Rot. Bonds1

About 2-methyl-5-(2-methylphospholan-3-yl)thiophene

2-methyl-5-(2-methylphospholan-3-yl)thiophene (PubChem CID 170000976) has the molecular formula C10H15PS and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-5-(2-methylphospholan-3-yl)thiophene.

Molecular Properties

Compound Name2-methyl-5-(2-methylphospholan-3-yl)thiophene
PubChem CID170000976
Molecular FormulaC10H15PS
Molecular Weight198.27 g/mol
Exact Mass198.06
IUPAC Name2-methyl-5-(2-methylphospholan-3-yl)thiophene
SMILESCc1ccc(C2CCPC2C)s1
InChIInChI=1S/C10H15PS/c1-7-3-4-10(12-7)9-5-6-11-8(9)2/h3-4,8-9,11H,5-6H2,1-2H3
InChIKeyIKKWCIMKJNWBQH-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylphospholan-3-yl)thiophene?
The IUPAC name of 2-methyl-5-(2-methylphospholan-3-yl)thiophene (CID 170000976) is 2-methyl-5-(2-methylphospholan-3-yl)thiophene.
What is the SMILES notation for 2-methyl-5-(2-methylphospholan-3-yl)thiophene?
The canonical SMILES for 2-methyl-5-(2-methylphospholan-3-yl)thiophene is Cc1ccc(C2CCPC2C)s1.
What is the InChIKey of 2-methyl-5-(2-methylphospholan-3-yl)thiophene?
The InChIKey is IKKWCIMKJNWBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15PS/c1-7-3-4-10(12-7)9-5-6-11-8(9)2/h3-4,8-9,11H,5-6H2,1-2H3.
What are the key properties of 2-methyl-5-(2-methylphospholan-3-yl)thiophene?
2-methyl-5-(2-methylphospholan-3-yl)thiophene has a molecular weight of 198.27 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylphospholan-3-yl)thiophene is sourced from PubChem (CID 170000976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).