1-[chloro(dimethyl)silyl]undecane-1-thiol

C13H29ClSSi — CID 87857427

IUPAC1-[chloro(dimethyl)silyl]undecane-1-thiol
SMILESCCCCCCCCCCC(S)[Si](C)(C)Cl
InChIInChI=1S/C13H29ClSSi/c1-4-5-6-7-8-9-10-11-12-13(15)16(2,3)14/h13,15H,4-12H2,1-3H3
InChIKeyFIZYIGVDBFNFAE-UHFFFAOYSA-N
MW280.98 g/mol
LogP5.80
Rot. Bonds10

About 1-[chloro(dimethyl)silyl]undecane-1-thiol

1-[chloro(dimethyl)silyl]undecane-1-thiol (PubChem CID 87857427) has the molecular formula C13H29ClSSi and a molecular weight of 280.98 g/mol. Its IUPAC name is 1-[chloro(dimethyl)silyl]undecane-1-thiol.

Molecular Properties

Compound Name1-[chloro(dimethyl)silyl]undecane-1-thiol
PubChem CID87857427
Molecular FormulaC13H29ClSSi
Molecular Weight280.98 g/mol
Exact Mass280.14
IUPAC Name1-[chloro(dimethyl)silyl]undecane-1-thiol
SMILESCCCCCCCCCCC(S)[Si](C)(C)Cl
InChIInChI=1S/C13H29ClSSi/c1-4-5-6-7-8-9-10-11-12-13(15)16(2,3)14/h13,15H,4-12H2,1-3H3
InChIKeyFIZYIGVDBFNFAE-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.98
LogP ≤ 55.80
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

1-trichlorosilylhexane-1-thiol
CID 175208338
hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol
CID 158456627
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CID 101114089
dodecane-6-thiol
CID 18757094
docosane-10,11-dithiol
CID 123269259
hexadecane-6,7-dithiol
CID 91163003
(9S,10S)-octadecane-9,10-dithiol
CID 98118372
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CID 87807519
(6R,7R)-dodecane-6,7-dithiol
CID 97050337
1-iodononatriacontane-1-thiol
CID 87857448
1-sulfanyloctan-1-ol
CID 21400591
1-iodooctane-1-thiol
CID 90280398

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(dimethyl)silyl]undecane-1-thiol?
The IUPAC name of 1-[chloro(dimethyl)silyl]undecane-1-thiol (CID 87857427) is 1-[chloro(dimethyl)silyl]undecane-1-thiol.
What is the SMILES notation for 1-[chloro(dimethyl)silyl]undecane-1-thiol?
The canonical SMILES for 1-[chloro(dimethyl)silyl]undecane-1-thiol is CCCCCCCCCCC(S)[Si](C)(C)Cl.
What is the InChIKey of 1-[chloro(dimethyl)silyl]undecane-1-thiol?
The InChIKey is FIZYIGVDBFNFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29ClSSi/c1-4-5-6-7-8-9-10-11-12-13(15)16(2,3)14/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[chloro(dimethyl)silyl]undecane-1-thiol?
1-[chloro(dimethyl)silyl]undecane-1-thiol has a molecular weight of 280.98 g/mol, XLogP of 5.80, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(dimethyl)silyl]undecane-1-thiol is sourced from PubChem (CID 87857427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).