CID 174683994

C9H20ClSSi — CID 174683994

IUPAC—
SMILESCCCC[Si](C)C.S=CCCCl
InChIInChI=1S/C6H15Si.C3H5ClS/c1-4-5-6-7(2)3;4-2-1-3-5/h4-6H2,1-3H3;3H,1-2H2
InChIKeyWHVUMGBWKKGULO-UHFFFAOYSA-N
MW223.86 g/mol
LogP4.16
Rot. Bonds5

About CID 174683994

CID 174683994 (PubChem CID 174683994) has the molecular formula C9H20ClSSi and a molecular weight of 223.86 g/mol.

Molecular Properties

Compound NameCID 174683994
PubChem CID174683994
Molecular FormulaC9H20ClSSi
Molecular Weight223.86 g/mol
Exact Mass223.07
IUPAC Name—
SMILESCCCC[Si](C)C.S=CCCCl
InChIInChI=1S/C6H15Si.C3H5ClS/c1-4-5-6-7(2)3;4-2-1-3-5/h4-6H2,1-3H3;3H,1-2H2
InChIKeyWHVUMGBWKKGULO-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.86
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174866702
(6-Chlorohexyl)dimethylsilane
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octacosanethial
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(22-Chlorodocosyl)(dimethyl)silane
CID 78070401
4-chlorobut-1-ene;propylsilane
CID 174687261
Butyldimethylsilane (D6)
CID 136797938
1-chlorobutane
CID 8005
(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
CID 163205166
CID 87133310
CID 87133310
5-Hexen-1-yldimethylsilane
CID 54194959
1-chlorodec-5-ene
CID 3085570
CID 59812924
CID 59812924

Frequently Asked Questions

What is the IUPAC name of CID 174683994?
The IUPAC name of CID 174683994 (CID 174683994) is not available.
What is the SMILES notation for CID 174683994?
The canonical SMILES for CID 174683994 is CCCC[Si](C)C.S=CCCCl.
What is the InChIKey of CID 174683994?
The InChIKey is WHVUMGBWKKGULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15Si.C3H5ClS/c1-4-5-6-7(2)3;4-2-1-3-5/h4-6H2,1-3H3;3H,1-2H2.
What are the key properties of CID 174683994?
CID 174683994 has a molecular weight of 223.86 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174683994 is sourced from PubChem (CID 174683994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).