9-[dichloro(methyl)silyl]nonane-1-thiol

C10H22Cl2SSi — CID 87681480

IUPAC9-[dichloro(methyl)silyl]nonane-1-thiol
SMILESC[Si](Cl)(Cl)CCCCCCCCCS
InChIInChI=1S/C10H22Cl2SSi/c1-14(11,12)10-8-6-4-2-3-5-7-9-13/h13H,2-10H2,1H3
InChIKeyICHVSHOPGQZHBD-UHFFFAOYSA-N
MW273.34 g/mol
LogP5.20
Rot. Bonds9

About 9-[dichloro(methyl)silyl]nonane-1-thiol

9-[dichloro(methyl)silyl]nonane-1-thiol (PubChem CID 87681480) has the molecular formula C10H22Cl2SSi and a molecular weight of 273.34 g/mol. Its IUPAC name is 9-[dichloro(methyl)silyl]nonane-1-thiol.

Molecular Properties

Compound Name9-[dichloro(methyl)silyl]nonane-1-thiol
PubChem CID87681480
Molecular FormulaC10H22Cl2SSi
Molecular Weight273.34 g/mol
Exact Mass272.06
IUPAC Name9-[dichloro(methyl)silyl]nonane-1-thiol
SMILESC[Si](Cl)(Cl)CCCCCCCCCS
InChIInChI=1S/C10H22Cl2SSi/c1-14(11,12)10-8-6-4-2-3-5-7-9-13/h13H,2-10H2,1H3
InChIKeyICHVSHOPGQZHBD-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.34
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

38-[dichloro(methyl)silyl]octatriacontane-1-thiol
CID 87684171
dichloro-[5-[dichloro(methyl)silyl]pentyl]-methylsilane
CID 154317252
27-[chloro(dimethyl)silyl]heptacosane-1-thiol
CID 87683227
33-[chloro(dimethyl)silyl]tritriacontane-1-thiol
CID 87683373
5-trichlorosilylpentane-1-thiol
CID 140708886
8-trichlorosilyloctane-1-thiol
CID 87461786
11-[dichloro(methyl)silyl]undecan-1-ol
CID 87682607
9-bromononyl-dichloro-methylsilane
CID 87683387
33-[dichloro(methyl)silyl]tritriacontan-1-amine
CID 87684387
14-bromotetradecyl-dichloro-methylsilane
CID 87684527
6-[dichloro(methyl)silyl]hexan-1-ol
CID 87686443
7-[dimethoxy(methyl)silyl]heptane-1-thiol
CID 151105350

Frequently Asked Questions

What is the IUPAC name of 9-[dichloro(methyl)silyl]nonane-1-thiol?
The IUPAC name of 9-[dichloro(methyl)silyl]nonane-1-thiol (CID 87681480) is 9-[dichloro(methyl)silyl]nonane-1-thiol.
What is the SMILES notation for 9-[dichloro(methyl)silyl]nonane-1-thiol?
The canonical SMILES for 9-[dichloro(methyl)silyl]nonane-1-thiol is C[Si](Cl)(Cl)CCCCCCCCCS.
What is the InChIKey of 9-[dichloro(methyl)silyl]nonane-1-thiol?
The InChIKey is ICHVSHOPGQZHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22Cl2SSi/c1-14(11,12)10-8-6-4-2-3-5-7-9-13/h13H,2-10H2,1H3.
What are the key properties of 9-[dichloro(methyl)silyl]nonane-1-thiol?
9-[dichloro(methyl)silyl]nonane-1-thiol has a molecular weight of 273.34 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[dichloro(methyl)silyl]nonane-1-thiol is sourced from PubChem (CID 87681480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).