aminothiourea;pentylhydrazine

C6H19N5S — CID 174921188

IUPACaminothiourea;pentylhydrazine
SMILESCCCCCNN.NNC(N)=S
InChIInChI=1S/C5H14N2.CH5N3S/c1-2-3-4-5-7-6;2-1(5)4-3/h7H,2-6H2,1H3;3H2,(H3,2,4,5)
InChIKeyPVEPVACREWRYJS-UHFFFAOYSA-N
MW193.32 g/mol
LogP-0.67
Rot. Bonds4

About aminothiourea;pentylhydrazine

aminothiourea;pentylhydrazine (PubChem CID 174921188) has the molecular formula C6H19N5S and a molecular weight of 193.32 g/mol. Its IUPAC name is aminothiourea;pentylhydrazine.

Molecular Properties

Compound Nameaminothiourea;pentylhydrazine
PubChem CID174921188
Molecular FormulaC6H19N5S
Molecular Weight193.32 g/mol
Exact Mass193.14
IUPAC Nameaminothiourea;pentylhydrazine
SMILESCCCCCNN.NNC(N)=S
InChIInChI=1S/C5H14N2.CH5N3S/c1-2-3-4-5-7-6;2-1(5)4-3/h7H,2-6H2,1H3;3H2,(H3,2,4,5)
InChIKeyPVEPVACREWRYJS-UHFFFAOYSA-N
XLogP-0.67
TPSA102.12 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 55
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminothiourea;pentylhydrazine?
The IUPAC name of aminothiourea;pentylhydrazine (CID 174921188) is aminothiourea;pentylhydrazine.
What is the SMILES notation for aminothiourea;pentylhydrazine?
The canonical SMILES for aminothiourea;pentylhydrazine is CCCCCNN.NNC(N)=S.
What is the InChIKey of aminothiourea;pentylhydrazine?
The InChIKey is PVEPVACREWRYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.CH5N3S/c1-2-3-4-5-7-6;2-1(5)4-3/h7H,2-6H2,1H3;3H2,(H3,2,4,5).
What are the key properties of aminothiourea;pentylhydrazine?
aminothiourea;pentylhydrazine has a molecular weight of 193.32 g/mol, XLogP of -0.67, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminothiourea;pentylhydrazine is sourced from PubChem (CID 174921188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).