CID 173368229

C5H13OSSi — CID 173368229

IUPAC—
SMILESCOC([SiH2])CCCS
InChIInChI=1S/C5H13OSSi/c1-6-5(8)3-2-4-7/h5,7H,2-4,8H2,1H3
InChIKeyMMHPZVZFWGAWMM-UHFFFAOYSA-N
MW149.31 g/mol
LogP0.30
Rot. Bonds4

About CID 173368229

CID 173368229 (PubChem CID 173368229) has the molecular formula C5H13OSSi and a molecular weight of 149.31 g/mol.

Molecular Properties

Compound NameCID 173368229
PubChem CID173368229
Molecular FormulaC5H13OSSi
Molecular Weight149.31 g/mol
Exact Mass149.05
IUPAC Name—
SMILESCOC([SiH2])CCCS
InChIInChI=1S/C5H13OSSi/c1-6-5(8)3-2-4-7/h5,7H,2-4,8H2,1H3
InChIKeyMMHPZVZFWGAWMM-UHFFFAOYSA-N
XLogP0.30
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-silylhexane-1-thiol
CID 175438758
4-fluoropentane-1-thiol
CID 87282782
butane-1,1,4-trithiol
CID 90930217
undecane-1,4,8,11-tetrathiol
CID 57041789
5,5,5-trimethoxy-4-silyloxypentane-1-thiol
CID 173313502
2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol
CID 175127070
4-aminopentane-1-thiol;ethane
CID 142392337
CID 172558720
CID 172558720
pentane-1,2,5-trithiol
CID 87093666
5-methylhexane-1-thiol
CID 18699074
3-methyl-6-sulfanylhexan-1-ol
CID 87063689
4-[tris(methylperoxy)methyl]dodecane-1-thiol
CID 151191840

Frequently Asked Questions

What is the IUPAC name of CID 173368229?
The IUPAC name of CID 173368229 (CID 173368229) is not available.
What is the SMILES notation for CID 173368229?
The canonical SMILES for CID 173368229 is COC([SiH2])CCCS.
What is the InChIKey of CID 173368229?
The InChIKey is MMHPZVZFWGAWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OSSi/c1-6-5(8)3-2-4-7/h5,7H,2-4,8H2,1H3.
What are the key properties of CID 173368229?
CID 173368229 has a molecular weight of 149.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173368229 is sourced from PubChem (CID 173368229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).