4-Dimethylamino-3,5-di-isopropylphenylthiocyanate

HCID 20317841
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Basic information

Standard SMILES
CC(C)c1cc(SC#N)cc(C(C)C)c1N(C)C
InChIKey
VXSJYNGXBNZBQK-UHFFFAOYSA-N
Molecular formula
C15H22N2S
Average molar mass
262.4 g/mol
Monoisotopic mass
262.15036988

Names & identifiers

Preferred name
4-Dimethylamino-3,5-di-isopropylphenylthiocyanate
IUPAC
[4-(dimethylamino)-3,5-di(propan-2-yl)phenyl] thiocyanate

Names & synonyms

SCHEMBL11590660VXSJYNGXBNZBQK-UHFFFAOYSA-N4-dimethylamino-3,5-di-isopropylphenylthiocyanate2,6-diisopropyl-N,N-dimethyl-4-thiocyanato-aniline

Database identifiers

PubChem CID
20317841

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
52.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18

Related reactions

3 records
New reaction record

Linked notes

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