CID 174008925

C6H13BS — CID 174008925

IUPAC—
SMILES[B]CSC(C)C(C)C
InChIInChI=1S/C6H13BS/c1-5(2)6(3)8-4-7/h5-6H,4H2,1-3H3
InChIKeyFMOYKZIZNPQANN-UHFFFAOYSA-N
MW128.05 g/mol
LogP1.89
Rot. Bonds3

About CID 174008925

CID 174008925 (PubChem CID 174008925) has the molecular formula C6H13BS and a molecular weight of 128.05 g/mol.

Molecular Properties

Compound NameCID 174008925
PubChem CID174008925
Molecular FormulaC6H13BS
Molecular Weight128.05 g/mol
Exact Mass128.08
IUPAC Name—
SMILES[B]CSC(C)C(C)C
InChIInChI=1S/C6H13BS/c1-5(2)6(3)8-4-7/h5-6H,4H2,1-3H3
InChIKeyFMOYKZIZNPQANN-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.05
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2-thiahexane
CID 294568
Isobutyl methyl sulfide
CID 263077
Butane, 2-methyl-3-(methylthio)-
CID 525431
2-Methyl-1-(methylsulfanyl)butane
CID 22950924
3-Methylthio-propyl-borane
CID 19012741
Dimethyl(3-methylbutyl)sulfanium
CID 3056977
InChI=1/C6H15S/c1-6(2)5-7(3)4/h6H,5H2,1-4H3/q+
CID 5325327
Bis(3-methylbutan-2-yl)-(3-methylsulfanylpropyl)borane
CID 13691697
Trifluoro(3-methylbutan-2-ylsulfanylmethyl)boranuide
CID 107761097
Trifluoro(2-methylbutylsulfanylmethyl)boranuide
CID 107761099
Trifluoro(3-methylbutylsulfanylmethyl)boranuide
CID 107761101
CID 23374814
CID 23374814

Frequently Asked Questions

What is the IUPAC name of CID 174008925?
The IUPAC name of CID 174008925 (CID 174008925) is not available.
What is the SMILES notation for CID 174008925?
The canonical SMILES for CID 174008925 is [B]CSC(C)C(C)C.
What is the InChIKey of CID 174008925?
The InChIKey is FMOYKZIZNPQANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BS/c1-5(2)6(3)8-4-7/h5-6H,4H2,1-3H3.
What are the key properties of CID 174008925?
CID 174008925 has a molecular weight of 128.05 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174008925 is sourced from PubChem (CID 174008925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).