aminothiourea;cyclohexanone

C7H15N3OS — CID 174911279

IUPACaminothiourea;cyclohexanone
SMILESNNC(N)=S.O=C1CCCCC1
InChIInChI=1S/C6H10O.CH5N3S/c7-6-4-2-1-3-5-6;2-1(5)4-3/h1-5H2;3H2,(H3,2,4,5)
InChIKeyKVZKNAWNEAQPGJ-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.21
Rot. Bonds

About aminothiourea;cyclohexanone

aminothiourea;cyclohexanone (PubChem CID 174911279) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is aminothiourea;cyclohexanone.

Molecular Properties

Compound Nameaminothiourea;cyclohexanone
PubChem CID174911279
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Nameaminothiourea;cyclohexanone
SMILESNNC(N)=S.O=C1CCCCC1
InChIInChI=1S/C6H10O.CH5N3S/c7-6-4-2-1-3-5-6;2-1(5)4-3/h1-5H2;3H2,(H3,2,4,5)
InChIKeyKVZKNAWNEAQPGJ-UHFFFAOYSA-N
XLogP0.21
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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;cyclohexanone?
The IUPAC name of aminothiourea;cyclohexanone (CID 174911279) is aminothiourea;cyclohexanone.
What is the SMILES notation for aminothiourea;cyclohexanone?
The canonical SMILES for aminothiourea;cyclohexanone is NNC(N)=S.O=C1CCCCC1.
What is the InChIKey of aminothiourea;cyclohexanone?
The InChIKey is KVZKNAWNEAQPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.CH5N3S/c7-6-4-2-1-3-5-6;2-1(5)4-3/h1-5H2;3H2,(H3,2,4,5).
What are the key properties of aminothiourea;cyclohexanone?
aminothiourea;cyclohexanone has a molecular weight of 189.28 g/mol, XLogP of 0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminothiourea;cyclohexanone is sourced from PubChem (CID 174911279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).