Borane Diisoamyl Sulfide

C10H22BS — CID 11424019

IUPAC—
SMILESCC(C)CCSCCC(C)C.[B]
InChIInChI=1S/C10H22S.B/c1-9(2)5-7-11-8-6-10(3)4;/h9-10H,5-8H2,1-4H3;
InChIKeyMCVWVIORQZOVDO-UHFFFAOYSA-N
MW185.17 g/mol
LogP3.43
Rot. Bonds6

About Borane Diisoamyl Sulfide

Borane Diisoamyl Sulfide (PubChem CID 11424019) has the molecular formula C10H22BS and a molecular weight of 185.17 g/mol.

Molecular Properties

Compound NameBorane Diisoamyl Sulfide
PubChem CID11424019
Molecular FormulaC10H22BS
Molecular Weight185.17 g/mol
Exact Mass185.15
IUPAC Name—
SMILESCC(C)CCSCCC(C)C.[B]
InChIInChI=1S/C10H22S.B/c1-9(2)5-7-11-8-6-10(3)4;/h9-10H,5-8H2,1-4H3;
InChIKeyMCVWVIORQZOVDO-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isobutyl Sulfide
CID 11608
Butane, 1,1'-thiobis[3-methyl-
CID 10990
1-(2-Methylpropylsulfanyl)butane
CID 525418
7-Methyl-4-thiaoctane
CID 525509
Sulfide, isopentyl pentyl
CID 525421
2,5-Dimethyl-4-thiaheptane
CID 525384
2,3-Dimethyl-4-thiaoctane
CID 525366
2,4,4-Trimethyl-3-thiahexane
CID 525369
2,6-Dimethyl-3-thiaheptane
CID 525392
6-Methyl-3-thiaheptane
CID 525502
2-Butylsulfanyl-2-methylbutane
CID 265417
2,3-Dimethyl-4-thianonane
CID 525365

Frequently Asked Questions

What is the IUPAC name of Borane Diisoamyl Sulfide?
The IUPAC name of Borane Diisoamyl Sulfide (CID 11424019) is not available.
What is the SMILES notation for Borane Diisoamyl Sulfide?
The canonical SMILES for Borane Diisoamyl Sulfide is CC(C)CCSCCC(C)C.[B].
What is the InChIKey of Borane Diisoamyl Sulfide?
The InChIKey is MCVWVIORQZOVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S.B/c1-9(2)5-7-11-8-6-10(3)4;/h9-10H,5-8H2,1-4H3;.
What are the key properties of Borane Diisoamyl Sulfide?
Borane Diisoamyl Sulfide has a molecular weight of 185.17 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Borane Diisoamyl Sulfide is sourced from PubChem (CID 11424019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).