CID 23374814

C6H14BS — CID 23374814

IUPAC—
SMILESCSCCC(C)C.[B]
InChIInChI=1S/C6H14S.B/c1-6(2)4-5-7-3;/h6H,4-5H2,1-3H3;
InChIKeyAHOUTFPGZDDKCJ-UHFFFAOYSA-N
MW129.06 g/mol
LogP2.01
Rot. Bonds3

About CID 23374814

CID 23374814 (PubChem CID 23374814) has the molecular formula C6H14BS and a molecular weight of 129.06 g/mol.

Molecular Properties

Compound NameCID 23374814
PubChem CID23374814
Molecular FormulaC6H14BS
Molecular Weight129.06 g/mol
Exact Mass129.09
IUPAC Name—
SMILESCSCCC(C)C.[B]
InChIInChI=1S/C6H14S.B/c1-6(2)4-5-7-3;/h6H,4-5H2,1-3H3;
InChIKeyAHOUTFPGZDDKCJ-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.06
LogP ≤ 52.01
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
Butane, 2-methyl-3-(methylthio)-
CID 525431
Sulfonium, dimethylisopentyl-, iodide
CID 3056976
Borane Diisoamyl Sulfide
CID 11424019
2-Methyl-1-(methylsulfanyl)butane
CID 22950924
6-Methyl-3-thiaheptane
CID 525502
Dimethyl(3-methylbutyl)sulfanium
CID 3056977
4,5-Dimethyl-3-thiahexane
CID 525467
Bis(3-methylbutan-2-yl)-(3-methylsulfanylpropyl)borane
CID 13691697
3-Methyl-1,2-bis(methylsulfanyl)butane
CID 13509451
Methyl-(3-methylbutyl)-methylidene-lambda4-sulfane
CID 18711698
CID 23374813
CID 23374813

Frequently Asked Questions

What is the IUPAC name of CID 23374814?
The IUPAC name of CID 23374814 (CID 23374814) is not available.
What is the SMILES notation for CID 23374814?
The canonical SMILES for CID 23374814 is CSCCC(C)C.[B].
What is the InChIKey of CID 23374814?
The InChIKey is AHOUTFPGZDDKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S.B/c1-6(2)4-5-7-3;/h6H,4-5H2,1-3H3;.
What are the key properties of CID 23374814?
CID 23374814 has a molecular weight of 129.06 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23374814 is sourced from PubChem (CID 23374814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).