S-[3-(dimethylamino)-2-methylpropyl]isothiourea dihydrochloride

HCID 14219635
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Basic information

Standard SMILES
CC(CSC(=N)N)CN(C)C.Cl.Cl
InChIKey
RPAAAYDCUJXHCS-UHFFFAOYSA-N
Molecular formula
C7H19Cl2N3S
Average molar mass
248.22 g/mol
Monoisotopic mass
247.0676742

Names & identifiers

Preferred name
S-[3-(dimethylamino)-2-methylpropyl]isothiourea dihydrochloride
IUPAC
[3-(dimethylamino)-2-methylpropyl] carbamimidothioate;dihydrochloride

Names & synonyms

SCHEMBL7372734RPAAAYDCUJXHCS-UHFFFAOYSA-NS-[3-(dimethylamino)-2-methylpropyl]isothiourea dihydrochloride

Database identifiers

PubChem CID
14219635

Properties

Computed structural properties

Topological polar surface area
78.4 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
13

Related reactions

2 records
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Compound notes

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