CID 59269201

C7H8S — CID 59269201

IUPAC—
SMILES[CH]CCc1cccs1
InChIInChI=1S/C7H8S/c1-2-4-7-5-3-6-8-7/h1,3,5-6H,2,4H2
InChIKeyBFMOWHIXBPSVDK-UHFFFAOYSA-N
MW124.21 g/mol
LogP2.39
Rot. Bonds2

About CID 59269201

CID 59269201 (PubChem CID 59269201) has the molecular formula C7H8S and a molecular weight of 124.21 g/mol.

Molecular Properties

Compound NameCID 59269201
PubChem CID59269201
Molecular FormulaC7H8S
Molecular Weight124.21 g/mol
Exact Mass124.03
IUPAC Name—
SMILES[CH]CCc1cccs1
InChIInChI=1S/C7H8S/c1-2-4-7-5-3-6-8-7/h1,3,5-6H,2,4H2
InChIKeyBFMOWHIXBPSVDK-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
3-thiophen-2-ylpropan-1-ol
CID 13109866
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
2-thiophen-2-ylethoxysilane
CID 154346669
2-(4-fluorobutyl)thiophene
CID 67851736
2-[4-(4-methylphenyl)butyl]thiophene
CID 10585578
2-(bromomethyl)thiophene
CID 11829978
ethane;2-pentylthiophene
CID 143883800
potassium trifluoro(2-thiophen-2-ylethyl)boranuide
CID 63774872
2-(5-chloropentyl)thiophene
CID 4912993
2-butylthiophene;methanamine
CID 143080300
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547

Frequently Asked Questions

What is the IUPAC name of CID 59269201?
The IUPAC name of CID 59269201 (CID 59269201) is not available.
What is the SMILES notation for CID 59269201?
The canonical SMILES for CID 59269201 is [CH]CCc1cccs1.
What is the InChIKey of CID 59269201?
The InChIKey is BFMOWHIXBPSVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S/c1-2-4-7-5-3-6-8-7/h1,3,5-6H,2,4H2.
What are the key properties of CID 59269201?
CID 59269201 has a molecular weight of 124.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269201 is sourced from PubChem (CID 59269201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).