CID 23187085

C13H23S+ — CID 23187085

IUPAC—
SMILESCC(C)(C)C1=CCCC(C(C)(C)C)=[S+]1
InChIInChI=1S/C13H23S/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h8H,7,9H2,1-6H3/q+1
InChIKeyDMIPKQFQRKLQNW-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.01
Rot. Bonds

About CID 23187085

CID 23187085 (PubChem CID 23187085) has the molecular formula C13H23S+ and a molecular weight of 211.39 g/mol.

Molecular Properties

Compound NameCID 23187085
PubChem CID23187085
Molecular FormulaC13H23S+
Molecular Weight211.39 g/mol
Exact Mass211.15
IUPAC Name—
SMILESCC(C)(C)C1=CCCC(C(C)(C)C)=[S+]1
InChIInChI=1S/C13H23S/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h8H,7,9H2,1-6H3/q+1
InChIKeyDMIPKQFQRKLQNW-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze CID 23187085 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Dimethyl-3-cyclohexene-1-thione
CID 129878956
Methylidene-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-lambda4-sulfane
CID 134878019
CID 18430459
CID 18430459
3,3,6,6-Tetramethyl-1-methylsulfanylcyclohexene
CID 146385035
6,6-Dimethyl-1-methylsulfanylcyclohexene
CID 169256378

Frequently Asked Questions

What is the IUPAC name of CID 23187085?
The IUPAC name of CID 23187085 (CID 23187085) is not available.
What is the SMILES notation for CID 23187085?
The canonical SMILES for CID 23187085 is CC(C)(C)C1=CCCC(C(C)(C)C)=[S+]1.
What is the InChIKey of CID 23187085?
The InChIKey is DMIPKQFQRKLQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23S/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h8H,7,9H2,1-6H3/q+1.
What are the key properties of CID 23187085?
CID 23187085 has a molecular weight of 211.39 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23187085 is sourced from PubChem (CID 23187085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).