4-(3-methoxypropylsilyl)butane-2-thiol

C8H20OSSi — CID 175498777

IUPAC4-(3-methoxypropylsilyl)butane-2-thiol
SMILESCOCCC[SiH2]CCC(C)S
InChIInChI=1S/C8H20OSSi/c1-8(10)4-7-11-6-3-5-9-2/h8,10H,3-7,11H2,1-2H3
InChIKeyWJBYLLJTZPQTSB-UHFFFAOYSA-N
MW192.40 g/mol
LogP1.74
Rot. Bonds7

About 4-(3-methoxypropylsilyl)butane-2-thiol

4-(3-methoxypropylsilyl)butane-2-thiol (PubChem CID 175498777) has the molecular formula C8H20OSSi and a molecular weight of 192.40 g/mol. Its IUPAC name is 4-(3-methoxypropylsilyl)butane-2-thiol.

Molecular Properties

Compound Name4-(3-methoxypropylsilyl)butane-2-thiol
PubChem CID175498777
Molecular FormulaC8H20OSSi
Molecular Weight192.40 g/mol
Exact Mass192.10
IUPAC Name4-(3-methoxypropylsilyl)butane-2-thiol
SMILESCOCCC[SiH2]CCC(C)S
InChIInChI=1S/C8H20OSSi/c1-8(10)4-7-11-6-3-5-9-2/h8,10H,3-7,11H2,1-2H3
InChIKeyWJBYLLJTZPQTSB-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(5-methoxypentyl)silane
CID 175221855
3,3-dimethoxypropyl-[3-(3,3-dimethoxypropylsilyl)propyl]silane
CID 123145212
4-(3-sulfanylbutoxy)butane-2-thiol
CID 87208287
(2S)-5-methoxypentan-2-amine
CID 93315322
tridecane-2,12-dithiol
CID 118018691
1,11-dimethoxy-2-methylundecane
CID 118982395
1-methoxypentane;2-methoxypentane
CID 158569369
3-methoxypropyl 2-sulfanylpropanoate
CID 107018238
(1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane
CID 175489121
1,2-dichloro-5-methoxypentane
CID 119097663
1-methoxy-4,8-dimethylnonane
CID 90974533
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylsilyl)butane-2-thiol?
The IUPAC name of 4-(3-methoxypropylsilyl)butane-2-thiol (CID 175498777) is 4-(3-methoxypropylsilyl)butane-2-thiol.
What is the SMILES notation for 4-(3-methoxypropylsilyl)butane-2-thiol?
The canonical SMILES for 4-(3-methoxypropylsilyl)butane-2-thiol is COCCC[SiH2]CCC(C)S.
What is the InChIKey of 4-(3-methoxypropylsilyl)butane-2-thiol?
The InChIKey is WJBYLLJTZPQTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20OSSi/c1-8(10)4-7-11-6-3-5-9-2/h8,10H,3-7,11H2,1-2H3.
What are the key properties of 4-(3-methoxypropylsilyl)butane-2-thiol?
4-(3-methoxypropylsilyl)butane-2-thiol has a molecular weight of 192.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylsilyl)butane-2-thiol is sourced from PubChem (CID 175498777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).