6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide

C8H20BrN5S — CID 45263460

IUPAC6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide
SMILESBr.[H]/N=C(\N)SCCCCCCN=C(N)N
InChIInChI=1S/C8H19N5S.BrH/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;/h1-6H2,(H3,11,12)(H4,9,10,13);1H
InChIKeyRKYLKLIKIVDIFX-UHFFFAOYSA-N
MW298.25 g/mol
LogP1.02
Rot. Bonds7

About 6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide

6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide (PubChem CID 45263460) has the molecular formula C8H20BrN5S and a molecular weight of 298.25 g/mol. Its IUPAC name is 6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide.

Molecular Properties

Compound Name6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide
PubChem CID45263460
Molecular FormulaC8H20BrN5S
Molecular Weight298.25 g/mol
Exact Mass297.06
IUPAC Name6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide
SMILESBr.[H]/N=C(\N)SCCCCCCN=C(N)N
InChIInChI=1S/C8H19N5S.BrH/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;/h1-6H2,(H3,11,12)(H4,9,10,13);1H
InChIKeyRKYLKLIKIVDIFX-UHFFFAOYSA-N
XLogP1.02
TPSA114.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 51.02
H-Bond Donors ≤ 54
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
4-(dimethylamino)butyl carbamimidothioate;dihydrobromide
CID 24836319
2-carbamimidoylsulfanylethyl carbamimidothioate dibromide
CID 21236844
2-(6-methylsulfanylhexyl)guanidine
CID 59806974
[(Z)-octadec-9-enyl] carbamimidothioate
CID 132599711
4-piperidin-1-ylbutyl carbamimidothioate;dihydrobromide
CID 24844033
1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
4,4,4-trifluorobutyl carbamimidothioate
CID 87719509
1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
4-pyrrolidin-1-ylbutyl carbamimidothioate
CID 24844039
4-carbamimidoylsulfanylpentyl carbamimidothioate;hydrobromide
CID 54611773

Frequently Asked Questions

What is the IUPAC name of 6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide?
The IUPAC name of 6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide (CID 45263460) is 6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide.
What is the SMILES notation for 6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide?
The canonical SMILES for 6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide is Br.[H]/N=C(\N)SCCCCCCN=C(N)N.
What is the InChIKey of 6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide?
The InChIKey is RKYLKLIKIVDIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5S.BrH/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;/h1-6H2,(H3,11,12)(H4,9,10,13);1H.
What are the key properties of 6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide?
6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide has a molecular weight of 298.25 g/mol, XLogP of 1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide is sourced from PubChem (CID 45263460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).