3-(Dimethylamino)propyl carbamimidothioate

HCID 3077

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Basic information

CAS: 65119-89-3
Standard SMILES: CN(C)CCCSC(=N)N
InChIKey: OLHQOJYVQUNWPL-UHFFFAOYSA-N
Molecular formula: C6H15N3S
Average molar mass: 161.27 g/mol
Monoisotopic mass: 161.09866866

Overview

Dimaprit is an imidothiocarbamic ester.

Names & identifiers

Preferred name: 3-(Dimethylamino)propyl carbamimidothioate
IUPAC: 3-(dimethylamino)propyl carbamimidothioate
English name: Dimaprit
Molecular formula: C6H15N3S
Molecular weight: 161.27

Names & synonyms

Dimaprit65119-89-33-(dimethylamino)propyl carbamimidothioateCARBAMIMIDOTHIOIC ACID, 3-(DIMETHYLAMINO)PROPYL ESTERZZQ699148PDTXSID00371543-dimethylaminopropylsulfanylmethanimidamideRefChem:911069DTXCID8017154CHEMBL12344BRN 2350552UNII-ZZQ699148P

Show more names

Carbamimidothioic acid 3-(dimethylamino)propyl ester

Pseudourea, 2-(3-(dimethylamino)propyl)-2-thio-Tocris-05063-(dimethylamino)propyl imidothiocarbamatePrestwick0_000983Prestwick1_000983Prestwick2_000983Prestwick3_000983[3-(carbamimidoylsulfanyl)propyl]dimethylamine

Database identifiers

CAS: 65119-89-3
PubChem CID: 3077
DTXSID: DTXSID0037154
ChEMBL: CHEMBL12344
ChEBI: CHEBI:81389
UNII: ZZQ699148P
Nikkaji: J21.390J

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 78.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 103

Physicochemical properties

FDA UNII: 699148 P · ZZQ699148P

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationDrugs that bind to and activate histamine receptors. Although they have been suggested for a variety of clinical applications histamine agonists have so far been more widely used in research than therapeutically.