(Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine

C10H12Br2N2S — CID 134275991

IUPAC(Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine
SMILESCC(C)(C)S/N=C\c1nc(Br)ccc1Br
InChIInChI=1S/C10H12Br2N2S/c1-10(2,3)15-13-6-8-7(11)4-5-9(12)14-8/h4-6H,1-3H3/b13-6-
InChIKeyWHVUZUNKCDKIIR-MLPAPPSSSA-N
MW352.10 g/mol
LogP4.47
Rot. Bonds2

About (Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine

(Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine (PubChem CID 134275991) has the molecular formula C10H12Br2N2S and a molecular weight of 352.10 g/mol. Its IUPAC name is (Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine.

Molecular Properties

Compound Name(Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine
PubChem CID134275991
Molecular FormulaC10H12Br2N2S
Molecular Weight352.10 g/mol
Exact Mass349.91
IUPAC Name(Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine
SMILESCC(C)(C)S/N=C\c1nc(Br)ccc1Br
InChIInChI=1S/C10H12Br2N2S/c1-10(2,3)15-13-6-8-7(11)4-5-9(12)14-8/h4-6H,1-3H3/b13-6-
InChIKeyWHVUZUNKCDKIIR-MLPAPPSSSA-N
XLogP4.47
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(5-bromo-1H-pyrazolo[3,4-b]pyridin-6-yl)-N-tert-butylsulfanylmethanimine
CID 142466340
(E)-1-(2-bromo-1,3-thiazol-5-yl)-N-tert-butylsulfanylmethanimine
CID 176960204
(E)-N-tert-butylsulfanyl-1-(3,5-ditert-butylphenyl)methanimine
CID 130474035
N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine
CID 175560337
potassium;tert-butyl nitrite;3,6-dibromo-2-methylpyridine;3,6-dibromopyridine-2-carbaldehyde;(NZ)-N-[(3,6-dibromo-2-pyridinyl)methylidene]hydroxylamine;methane;2-methylpropan-2-olate;oxolane;hydrate
CID 172947497
N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]methanimine
CID 174813041
2-bromo-5-tert-butylsulfanylpyridine
CID 18427286
CID 143055728
CID 143055728
5-[3-(tert-butylsulfanyliminomethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 173487861
N-tert-butylsulfanyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-imine
CID 174083682
bromobenzene;N-tert-butylsulfanylmethanimine
CID 174903393
1-bromo-4-tert-butylsulfanyl-2-methylbenzene
CID 121220452

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine?
The IUPAC name of (Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine (CID 134275991) is (Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine.
What is the SMILES notation for (Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine?
The canonical SMILES for (Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine is CC(C)(C)S/N=C\c1nc(Br)ccc1Br.
What is the InChIKey of (Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine?
The InChIKey is WHVUZUNKCDKIIR-MLPAPPSSSA-N. The full InChI is InChI=1S/C10H12Br2N2S/c1-10(2,3)15-13-6-8-7(11)4-5-9(12)14-8/h4-6H,1-3H3/b13-6-.
What are the key properties of (Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine?
(Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine has a molecular weight of 352.10 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butylsulfanyl-1-(3,6-dibromo-2-pyridinyl)methanimine is sourced from PubChem (CID 134275991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).