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Quinolin-3-ylmethyl carbamimidothioate

HCID 20135508
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Basic information

Standard SMILES
N=C(N)SCc1cnc2ccccc2c1
InChIKey
BBTQILBUDSANDJ-UHFFFAOYSA-N
Molecular formula
C11H11N3S
Average molar mass
217.29 g/mol
Monoisotopic mass
217.06736854

Names & identifiers

Preferred name
Quinolin-3-ylmethyl carbamimidothioate
IUPAC
quinolin-3-ylmethyl carbamimidothioate

Database identifiers

PubChem CID
20135508

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
88.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
232

Related reactions

1 records
New reaction record
HRID 1229583 reaction equation
HRID 1229583As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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