2-(7-Bromoheptylthio)pyrimidine

HCID 19956985
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Basic information

Standard SMILES
BrCCCCCCCSc1ncccn1
InChIKey
BBMHHIWAOOVFAX-UHFFFAOYSA-N
Molecular formula
C11H17BrN2S
Average molar mass
289.24 g/mol

Names & identifiers

Preferred name
2-(7-Bromoheptylthio)pyrimidine
IUPAC
2-(7-bromoheptylsulfanyl)pyrimidine

Names & synonyms

SCHEMBL89144602-(7-bromoheptylthio)pyrimidineBBMHHIWAOOVFAX-UHFFFAOYSA-N

Database identifiers

PubChem CID
19956985

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
51.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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