6-(tert-butyldisulfanyl)hexanoyl chloride

C10H19ClOS2 — CID 10354990

IUPAC6-(tert-butyldisulfanyl)hexanoyl chloride
SMILESCC(C)(C)SSCCCCCC(=O)Cl
InChIInChI=1S/C10H19ClOS2/c1-10(2,3)14-13-8-6-4-5-7-9(11)12/h4-8H2,1-3H3
InChIKeyBAYMCKOLXASXKA-UHFFFAOYSA-N
MW254.85 g/mol
LogP4.49
Rot. Bonds7

About 6-(tert-butyldisulfanyl)hexanoyl chloride

6-(tert-butyldisulfanyl)hexanoyl chloride (PubChem CID 10354990) has the molecular formula C10H19ClOS2 and a molecular weight of 254.85 g/mol. Its IUPAC name is 6-(tert-butyldisulfanyl)hexanoyl chloride.

Molecular Properties

Compound Name6-(tert-butyldisulfanyl)hexanoyl chloride
PubChem CID10354990
Molecular FormulaC10H19ClOS2
Molecular Weight254.85 g/mol
Exact Mass254.06
IUPAC Name6-(tert-butyldisulfanyl)hexanoyl chloride
SMILESCC(C)(C)SSCCCCCC(=O)Cl
InChIInChI=1S/C10H19ClOS2/c1-10(2,3)14-13-8-6-4-5-7-9(11)12/h4-8H2,1-3H3
InChIKeyBAYMCKOLXASXKA-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.85
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(tert-butyldisulfanyl)hexanoic acid
CID 10263528
5-(tert-butyldisulfanyl)pentan-1-ol
CID 14965510
6-(tert-butyldisulfanyl)-2,2-dimethylhexan-3-one
CID 164779631
S-(12-chloro-12-oxododecyl) ethanethioate
CID 71416924
8,8-dimethylnonanoyl chloride
CID 154269642
nonadecanoyl chloride
CID 4250939
2-(tert-butyldisulfanyl)ethanol
CID 14965536
6-hydroxyhexanoyl chloride
CID 87077852
hexane-1,6-diol;hexanedioyl dichloride
CID 86756475
sodium;bis(dodecanoyl chloride);hydride
CID 175516799
(2-sulfanylidene-1-pyridinyl) 5-(tert-butyldisulfanyl)pentanoate
CID 10336832
3-hexadecylsulfanylpropanoyl chloride
CID 88764265

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butyldisulfanyl)hexanoyl chloride?
The IUPAC name of 6-(tert-butyldisulfanyl)hexanoyl chloride (CID 10354990) is 6-(tert-butyldisulfanyl)hexanoyl chloride.
What is the SMILES notation for 6-(tert-butyldisulfanyl)hexanoyl chloride?
The canonical SMILES for 6-(tert-butyldisulfanyl)hexanoyl chloride is CC(C)(C)SSCCCCCC(=O)Cl.
What is the InChIKey of 6-(tert-butyldisulfanyl)hexanoyl chloride?
The InChIKey is BAYMCKOLXASXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClOS2/c1-10(2,3)14-13-8-6-4-5-7-9(11)12/h4-8H2,1-3H3.
What are the key properties of 6-(tert-butyldisulfanyl)hexanoyl chloride?
6-(tert-butyldisulfanyl)hexanoyl chloride has a molecular weight of 254.85 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butyldisulfanyl)hexanoyl chloride is sourced from PubChem (CID 10354990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).