2-cyclopropyl-3-iodo-1-benzothiophene

C11H9IS — CID 151628210

IUPAC2-cyclopropyl-3-iodo-1-benzothiophene
SMILESIc1c(C2CC2)sc2ccccc12
InChIInChI=1S/C11H9IS/c12-10-8-3-1-2-4-9(8)13-11(10)7-5-6-7/h1-4,7H,5-6H2
InChIKeyQPYIBFIXDPWQOA-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.38
Rot. Bonds1

About 2-cyclopropyl-3-iodo-1-benzothiophene

2-cyclopropyl-3-iodo-1-benzothiophene (PubChem CID 151628210) has the molecular formula C11H9IS and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-cyclopropyl-3-iodo-1-benzothiophene.

Molecular Properties

Compound Name2-cyclopropyl-3-iodo-1-benzothiophene
PubChem CID151628210
Molecular FormulaC11H9IS
Molecular Weight300.16 g/mol
Exact Mass299.95
IUPAC Name2-cyclopropyl-3-iodo-1-benzothiophene
SMILESIc1c(C2CC2)sc2ccccc12
InChIInChI=1S/C11H9IS/c12-10-8-3-1-2-4-9(8)13-11(10)7-5-6-7/h1-4,7H,5-6H2
InChIKeyQPYIBFIXDPWQOA-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyldibenzothiophene
CID 54752889
2-cyclohexyldibenzothiophene
CID 154097064
dibenzothiophene;methane
CID 162233710
4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine
CID 116987473
2-cyclopropyl-3-(2-cyclopropyl-5-methyl-1-benzothiophen-3-yl)-5-methyl-1-benzothiophene
CID 177465955
bis(dibenzothiophene);ethane
CID 143921746
3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene
CID 154947836
(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine
CID 81453544
4-bromo-1-methyl-1,2,3,4-tetrahydrodibenzothiophene
CID 115418076
3-iododibenzothiophene
CID 86150547
3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
CID 11834975
(1S,7R)-4-(1-benzothiophen-3-yl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91230006

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-iodo-1-benzothiophene?
The IUPAC name of 2-cyclopropyl-3-iodo-1-benzothiophene (CID 151628210) is 2-cyclopropyl-3-iodo-1-benzothiophene.
What is the SMILES notation for 2-cyclopropyl-3-iodo-1-benzothiophene?
The canonical SMILES for 2-cyclopropyl-3-iodo-1-benzothiophene is Ic1c(C2CC2)sc2ccccc12.
What is the InChIKey of 2-cyclopropyl-3-iodo-1-benzothiophene?
The InChIKey is QPYIBFIXDPWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IS/c12-10-8-3-1-2-4-9(8)13-11(10)7-5-6-7/h1-4,7H,5-6H2.
What are the key properties of 2-cyclopropyl-3-iodo-1-benzothiophene?
2-cyclopropyl-3-iodo-1-benzothiophene has a molecular weight of 300.16 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-iodo-1-benzothiophene is sourced from PubChem (CID 151628210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).