6-hydroxyhexyl N'-aminocarbamimidothioate

C7H17N3OS — CID 107707344

IUPAC6-hydroxyhexyl N'-aminocarbamimidothioate
SMILESNN=C(N)SCCCCCCO
InChIInChI=1S/C7H17N3OS/c8-7(10-9)12-6-4-2-1-3-5-11/h11H,1-6,9H2,(H2,8,10)
InChIKeyCKMIONJNIKTTIR-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.46
Rot. Bonds6

About 6-hydroxyhexyl N'-aminocarbamimidothioate

6-hydroxyhexyl N'-aminocarbamimidothioate (PubChem CID 107707344) has the molecular formula C7H17N3OS and a molecular weight of 191.30 g/mol. Its IUPAC name is 6-hydroxyhexyl N'-aminocarbamimidothioate.

Molecular Properties

Compound Name6-hydroxyhexyl N'-aminocarbamimidothioate
PubChem CID107707344
Molecular FormulaC7H17N3OS
Molecular Weight191.30 g/mol
Exact Mass191.11
IUPAC Name6-hydroxyhexyl N'-aminocarbamimidothioate
SMILESNN=C(N)SCCCCCCO
InChIInChI=1S/C7H17N3OS/c8-7(10-9)12-6-4-2-1-3-5-11/h11H,1-6,9H2,(H2,8,10)
InChIKeyCKMIONJNIKTTIR-UHFFFAOYSA-N
XLogP0.46
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate
CID 54603017
4-[(E)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate;dihydroiodide
CID 131882361
3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate
CID 5473868
6-hydroxyhexyl carbamimidothioate
CID 15370310
3-pyrrolidin-1-ylpropyl N'-aminocarbamimidothioate
CID 77060950
(3-amino-3-oxopropyl) N'-aminocarbamimidothioate
CID 77060310
9-(9-hydroxynonylsulfanyl)nonan-1-ol
CID 155127930
3-hydroxypropyl 2-amino-2-hydrazinylideneethanimidothioate
CID 87974134
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
5-(aminomethylsulfanyl)pentan-1-ol
CID 163537686
butane-1,4-diol;zinc
CID 170696072

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexyl N'-aminocarbamimidothioate?
The IUPAC name of 6-hydroxyhexyl N'-aminocarbamimidothioate (CID 107707344) is 6-hydroxyhexyl N'-aminocarbamimidothioate.
What is the SMILES notation for 6-hydroxyhexyl N'-aminocarbamimidothioate?
The canonical SMILES for 6-hydroxyhexyl N'-aminocarbamimidothioate is NN=C(N)SCCCCCCO.
What is the InChIKey of 6-hydroxyhexyl N'-aminocarbamimidothioate?
The InChIKey is CKMIONJNIKTTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3OS/c8-7(10-9)12-6-4-2-1-3-5-11/h11H,1-6,9H2,(H2,8,10).
What are the key properties of 6-hydroxyhexyl N'-aminocarbamimidothioate?
6-hydroxyhexyl N'-aminocarbamimidothioate has a molecular weight of 191.30 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexyl N'-aminocarbamimidothioate is sourced from PubChem (CID 107707344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).