4-(dimethylamino)butyl carbamimidothioate;dihydrobromide

C7H19Br2N3S — CID 24836319

IUPAC4-(dimethylamino)butyl carbamimidothioate;dihydrobromide
SMILESBr.Br.[H]/N=C(\N)SCCCCN(C)C
InChIInChI=1S/C7H17N3S.2BrH/c1-10(2)5-3-4-6-11-7(8)9;;/h3-6H2,1-2H3,(H3,8,9);2*1H
InChIKeyBILZTDNARFBMHE-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.11
Rot. Bonds5

About 4-(dimethylamino)butyl carbamimidothioate;dihydrobromide

4-(dimethylamino)butyl carbamimidothioate;dihydrobromide (PubChem CID 24836319) has the molecular formula C7H19Br2N3S and a molecular weight of 337.13 g/mol. Its IUPAC name is 4-(dimethylamino)butyl carbamimidothioate;dihydrobromide.

Molecular Properties

Compound Name4-(dimethylamino)butyl carbamimidothioate;dihydrobromide
PubChem CID24836319
Molecular FormulaC7H19Br2N3S
Molecular Weight337.13 g/mol
Exact Mass334.97
IUPAC Name4-(dimethylamino)butyl carbamimidothioate;dihydrobromide
SMILESBr.Br.[H]/N=C(\N)SCCCCN(C)C
InChIInChI=1S/C7H17N3S.2BrH/c1-10(2)5-3-4-6-11-7(8)9;;/h3-6H2,1-2H3,(H3,8,9);2*1H
InChIKeyBILZTDNARFBMHE-UHFFFAOYSA-N
XLogP2.11
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-hydroxyhexyl carbamimidothioate
CID 15370310
hexyl carbamimidothioate;thiourea;hydrobromide
CID 159769059
6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide
CID 45263460
2-carbamimidoylsulfanylethyl carbamimidothioate dibromide
CID 21236844
4-carbamimidoylsulfanylpentyl carbamimidothioate;hydrobromide
CID 54611773
[(Z)-octadec-9-enyl] carbamimidothioate
CID 132599711
3-ethoxypropyl carbamimidothioate
CID 65212394
4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide
CID 24844033
4,4,4-trifluorobutyl carbamimidothioate
CID 87719509
4-pyrrolidin-1-ylbutyl carbamimidothioate
CID 24844039
3-(2-methoxyethoxy)propyl carbamimidothioate
CID 103415011
2-cyanoethyl carbamimidothioate;3-cyanopropyl carbamimidothioate
CID 137378473

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butyl carbamimidothioate;dihydrobromide?
The IUPAC name of 4-(dimethylamino)butyl carbamimidothioate;dihydrobromide (CID 24836319) is 4-(dimethylamino)butyl carbamimidothioate;dihydrobromide.
What is the SMILES notation for 4-(dimethylamino)butyl carbamimidothioate;dihydrobromide?
The canonical SMILES for 4-(dimethylamino)butyl carbamimidothioate;dihydrobromide is Br.Br.[H]/N=C(\N)SCCCCN(C)C.
What is the InChIKey of 4-(dimethylamino)butyl carbamimidothioate;dihydrobromide?
The InChIKey is BILZTDNARFBMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S.2BrH/c1-10(2)5-3-4-6-11-7(8)9;;/h3-6H2,1-2H3,(H3,8,9);2*1H.
What are the key properties of 4-(dimethylamino)butyl carbamimidothioate;dihydrobromide?
4-(dimethylamino)butyl carbamimidothioate;dihydrobromide has a molecular weight of 337.13 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butyl carbamimidothioate;dihydrobromide is sourced from PubChem (CID 24836319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).