1-tert-butylsulfanylbutane;triiodovanadium

C8H18I3SV — CID 157432361

IUPAC1-tert-butylsulfanylbutane;triiodovanadium
SMILESCCCCSC(C)(C)C.I[V](I)I
InChIInChI=1S/C8H18S.3HI.V/c1-5-6-7-9-8(2,3)4;;;;/h5-7H2,1-4H3;3*1H;/q;;;;+3/p-3
InChIKeyBQRQDYCHZMVJLL-UHFFFAOYSA-K
MW577.95 g/mol
LogP5.97
Rot. Bonds3

About 1-tert-butylsulfanylbutane;triiodovanadium

1-tert-butylsulfanylbutane;triiodovanadium (PubChem CID 157432361) has the molecular formula C8H18I3SV and a molecular weight of 577.95 g/mol. Its IUPAC name is 1-tert-butylsulfanylbutane;triiodovanadium.

Molecular Properties

Compound Name1-tert-butylsulfanylbutane;triiodovanadium
PubChem CID157432361
Molecular FormulaC8H18I3SV
Molecular Weight577.95 g/mol
Exact Mass577.77
IUPAC Name1-tert-butylsulfanylbutane;triiodovanadium
SMILESCCCCSC(C)(C)C.I[V](I)I
InChIInChI=1S/C8H18S.3HI.V/c1-5-6-7-9-8(2,3)4;;;;/h5-7H2,1-4H3;3*1H;/q;;;;+3/p-3
InChIKeyBQRQDYCHZMVJLL-UHFFFAOYSA-K
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.95
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butylsulfanylhexane
CID 12957071
1,2-Bis(tert-butylthio)ethane Borane
CID 23106025
borane;2-(2-tert-butylsulfanylethylsulfanyl)-2-methylpropane
CID 2733083
1-(1,1,2,2,2-pentafluoroethylsulfanyl)butane
CID 11506712
3-(2-butylsulfanylpropan-2-yl)-1,2,4,5-tetraoxepane
CID 19914267
2-methyl-2-pentylsulfanylpropanoyl chloride
CID 175608843
4-butylsulfanyl-4-methylpentan-2-one
CID 3024239
7-tert-butylsulfanyl-4,4-dimethylheptan-3-one
CID 88908641
N-butyl-N-tert-butylsulfanylbutan-1-amine
CID 3028251
1,3-bis(butylsulfanyl)-2-(butylsulfanylmethyl)-2-methylpropane
CID 11602473
2-(2-bromoethylsulfanyl)-2-methylpropane
CID 43445846
tris(4-tert-butylsulfanylbutyl) borate
CID 139922438

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanylbutane;triiodovanadium?
The IUPAC name of 1-tert-butylsulfanylbutane;triiodovanadium (CID 157432361) is 1-tert-butylsulfanylbutane;triiodovanadium.
What is the SMILES notation for 1-tert-butylsulfanylbutane;triiodovanadium?
The canonical SMILES for 1-tert-butylsulfanylbutane;triiodovanadium is CCCCSC(C)(C)C.I[V](I)I.
What is the InChIKey of 1-tert-butylsulfanylbutane;triiodovanadium?
The InChIKey is BQRQDYCHZMVJLL-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H18S.3HI.V/c1-5-6-7-9-8(2,3)4;;;;/h5-7H2,1-4H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 1-tert-butylsulfanylbutane;triiodovanadium?
1-tert-butylsulfanylbutane;triiodovanadium has a molecular weight of 577.95 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanylbutane;triiodovanadium is sourced from PubChem (CID 157432361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).