1-(dimethylamino)-1-dimethylsilylbutane-1-thiol

C8H21NSSi — CID 173239413

IUPAC1-(dimethylamino)-1-dimethylsilylbutane-1-thiol
SMILESCCCC(S)(N(C)C)[SiH](C)C
InChIInChI=1S/C8H21NSSi/c1-6-7-8(10,9(2)3)11(4)5/h10-11H,6-7H2,1-5H3
InChIKeyTTWJXUHFBJBCOL-UHFFFAOYSA-N
MW191.42 g/mol
LogP2.00
Rot. Bonds4

About 1-(dimethylamino)-1-dimethylsilylbutane-1-thiol

1-(dimethylamino)-1-dimethylsilylbutane-1-thiol (PubChem CID 173239413) has the molecular formula C8H21NSSi and a molecular weight of 191.42 g/mol. Its IUPAC name is 1-(dimethylamino)-1-dimethylsilylbutane-1-thiol.

Molecular Properties

Compound Name1-(dimethylamino)-1-dimethylsilylbutane-1-thiol
PubChem CID173239413
Molecular FormulaC8H21NSSi
Molecular Weight191.42 g/mol
Exact Mass191.12
IUPAC Name1-(dimethylamino)-1-dimethylsilylbutane-1-thiol
SMILESCCCC(S)(N(C)C)[SiH](C)C
InChIInChI=1S/C8H21NSSi/c1-6-7-8(10,9(2)3)11(4)5/h10-11H,6-7H2,1-5H3
InChIKeyTTWJXUHFBJBCOL-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-amino-1-dimethylsilylbutane-1-thiol
CID 130705425
heptane-4,4-dithiol
CID 154237484
1,1-bis(sulfanyl)pentane-1,2,2-triol
CID 89422410
1-N,1-N,1-N',1-N'-tetramethyl-1-silylbutane-1,1-diamine
CID 173426339
1-methyl-1-(4-methylheptan-4-yl)hydrazine
CID 151392665
2-N,2-N-dimethyl-2-propylpentane-1,2-diamine
CID 24689392
1-chloro-1-(dimethylamino)butan-1-ol
CID 88807122
(2R)-2-(dimethylamino)butane-2-thiol
CID 160975847
N-[ethyl(methyl)silyl]-N-methylmethanamine
CID 123398600
3-methyl-3-propylhexane-2-thiol
CID 123142515
N,N-dimethyl-6-pentylundecan-6-amine
CID 170848103
4,4-diethylheptane-3,3-diol
CID 22392674

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-dimethylsilylbutane-1-thiol?
The IUPAC name of 1-(dimethylamino)-1-dimethylsilylbutane-1-thiol (CID 173239413) is 1-(dimethylamino)-1-dimethylsilylbutane-1-thiol.
What is the SMILES notation for 1-(dimethylamino)-1-dimethylsilylbutane-1-thiol?
The canonical SMILES for 1-(dimethylamino)-1-dimethylsilylbutane-1-thiol is CCCC(S)(N(C)C)[SiH](C)C.
What is the InChIKey of 1-(dimethylamino)-1-dimethylsilylbutane-1-thiol?
The InChIKey is TTWJXUHFBJBCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NSSi/c1-6-7-8(10,9(2)3)11(4)5/h10-11H,6-7H2,1-5H3.
What are the key properties of 1-(dimethylamino)-1-dimethylsilylbutane-1-thiol?
1-(dimethylamino)-1-dimethylsilylbutane-1-thiol has a molecular weight of 191.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-dimethylsilylbutane-1-thiol is sourced from PubChem (CID 173239413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).