CID 155694101

C10H11S — CID 155694101

IUPAC—
SMILES[CH2]c1ccccc1CCC=S
InChIInChI=1S/C10H11S/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6,8H,1,4,7H2
InChIKeyGSPDMWSNZOPAHT-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.80
Rot. Bonds3

About CID 155694101

CID 155694101 (PubChem CID 155694101) has the molecular formula C10H11S and a molecular weight of 163.26 g/mol.

Molecular Properties

Compound NameCID 155694101
PubChem CID155694101
Molecular FormulaC10H11S
Molecular Weight163.26 g/mol
Exact Mass163.06
IUPAC Name—
SMILES[CH2]c1ccccc1CCC=S
InChIInChI=1S/C10H11S/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6,8H,1,4,7H2
InChIKeyGSPDMWSNZOPAHT-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155694101?
The IUPAC name of CID 155694101 (CID 155694101) is not available.
What is the SMILES notation for CID 155694101?
The canonical SMILES for CID 155694101 is [CH2]c1ccccc1CCC=S.
What is the InChIKey of CID 155694101?
The InChIKey is GSPDMWSNZOPAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11S/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6,8H,1,4,7H2.
What are the key properties of CID 155694101?
CID 155694101 has a molecular weight of 163.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155694101 is sourced from PubChem (CID 155694101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).