S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine

C6H7BrN2OS — CID 126518732

IUPACS-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine
SMILESCOc1ncc(Br)cc1SN
InChIInChI=1S/C6H7BrN2OS/c1-10-6-5(11-8)2-4(7)3-9-6/h2-3H,8H2,1H3
InChIKeyZMRXSKCKMFPHMX-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.82
Rot. Bonds2

About S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine

S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine (PubChem CID 126518732) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine
PubChem CID126518732
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC NameS-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine
SMILESCOc1ncc(Br)cc1SN
InChIInChI=1S/C6H7BrN2OS/c1-10-6-5(11-8)2-4(7)3-9-6/h2-3H,8H2,1H3
InChIKeyZMRXSKCKMFPHMX-UHFFFAOYSA-N
XLogP1.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine
CID 146211561
(1S)-1-(5-bromo-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 130690048
(1R)-1-(5-bromo-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 130632467
5-bromo-2-methoxy-N,N-dimethylpyridin-3-amine
CID 170994844
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
5-bromo-3-[3-(difluoromethyl)oxetan-3-yl]-2-methoxypyridine
CID 118949148
aniline;5-bromo-2-methoxypyridine-3-thiol
CID 144889155
5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane
CID 87890582
5-bromo-3-cyclopentyl-2-methoxypyridine
CID 172993694
5-bromo-2-methoxy-3-phenoxypyridine
CID 165374137
5-bromo-2-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 61227912

Frequently Asked Questions

What is the IUPAC name of S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine?
The IUPAC name of S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine (CID 126518732) is S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine.
What is the SMILES notation for S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine?
The canonical SMILES for S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine is COc1ncc(Br)cc1SN.
What is the InChIKey of S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine?
The InChIKey is ZMRXSKCKMFPHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c1-10-6-5(11-8)2-4(7)3-9-6/h2-3H,8H2,1H3.
What are the key properties of S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine?
S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine has a molecular weight of 235.11 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine is sourced from PubChem (CID 126518732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).