CID 155629573

C7H12Cl2SSi — CID 155629573

IUPAC—
SMILESC=CCSCCC[Si]C(Cl)Cl
InChIInChI=1S/C7H12Cl2SSi/c1-2-4-10-5-3-6-11-7(8)9/h2,7H,1,3-6H2
InChIKeyCGRAVZKOFLEBRU-UHFFFAOYSA-N
MW227.23 g/mol
LogP3.18
Rot. Bonds7

About CID 155629573

CID 155629573 (PubChem CID 155629573) has the molecular formula C7H12Cl2SSi and a molecular weight of 227.23 g/mol.

Molecular Properties

Compound NameCID 155629573
PubChem CID155629573
Molecular FormulaC7H12Cl2SSi
Molecular Weight227.23 g/mol
Exact Mass225.98
IUPAC Name—
SMILESC=CCSCCC[Si]C(Cl)Cl
InChIInChI=1S/C7H12Cl2SSi/c1-2-4-10-5-3-6-11-7(8)9/h2,7H,1,3-6H2
InChIKeyCGRAVZKOFLEBRU-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 155629573?
The IUPAC name of CID 155629573 (CID 155629573) is not available.
What is the SMILES notation for CID 155629573?
The canonical SMILES for CID 155629573 is C=CCSCCC[Si]C(Cl)Cl.
What is the InChIKey of CID 155629573?
The InChIKey is CGRAVZKOFLEBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2SSi/c1-2-4-10-5-3-6-11-7(8)9/h2,7H,1,3-6H2.
What are the key properties of CID 155629573?
CID 155629573 has a molecular weight of 227.23 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155629573 is sourced from PubChem (CID 155629573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).