Ethyl aminon-(3-bromopyridin-2-YL)methanethiocarbamate

HCID 59199107

Basic information

Standard SMILES
CCOC(=O)NC(=S)Nc1ncccc1Br
InChIKey
KIEUKZNLWJFVON-UHFFFAOYSA-N
Molecular formula
C9H10BrN3O2S
Average molar mass
304.17 g/mol
Monoisotopic mass
302.96771

Names & identifiers

Preferred name
Ethyl aminon-(3-bromopyridin-2-YL)methanethiocarbamate
IUPAC
ethyl N-[(3-bromo-2-pyridinyl)carbamothioyl]carbamate

Names & synonyms

1124383-00-1ETHYL AMINON-(3-BROMOPYRIDIN-2-YL)METHANETHIOCARBAMATEMFCD28137627ethyl N-[(3-bromopyridin-2-yl)carbamothioyl]carbamateethyl {[(3-bromopyridin-2-yl)amino]carbonothioyl}carbamateSCHEMBL1691036SCHEMBL30587541KIEUKZNLWJFVON-UHFFFAOYSA-NAKOS037646743AS-70606DA-33649SY126100
Show more names
CS-00373721-(3-Bromo-2-pyridyl)-3-carboethoxythioureaW133401-(3-bromopyridine-2-yl)-3-carboethoxythioureaethyl[(3-bromopyridin-2-yl)carbamothioyl]carbamateN-(3-Bromo-2-pyridinyl)-N'-carboethoxy-thioureaethyl [(3-bromopyridin-2-yl)carbamothioyl]carbamateethyl N-[(3-bromo-2-pyridyl)carbamothioyl]carbamate

Database identifiers

PubChem CID
59199107

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
95.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16

Related reactions

15 records

Linked notes

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