[(3-methylcyclohexylidene)amino]thiourea

C8H15N3S — CID 74405055

IUPAC[(3-methylcyclohexylidene)amino]thiourea
SMILESCC1CCCC(=NNC(N)=S)C1
InChIInChI=1S/C8H15N3S/c1-6-3-2-4-7(5-6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)
InChIKeyHYTSSRJLTXZVAJ-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.39
Rot. Bonds1

About [(3-methylcyclohexylidene)amino]thiourea

[(3-methylcyclohexylidene)amino]thiourea (PubChem CID 74405055) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is [(3-methylcyclohexylidene)amino]thiourea.

Molecular Properties

Compound Name[(3-methylcyclohexylidene)amino]thiourea
PubChem CID74405055
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name[(3-methylcyclohexylidene)amino]thiourea
SMILESCC1CCCC(=NNC(N)=S)C1
InChIInChI=1S/C8H15N3S/c1-6-3-2-4-7(5-6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12)
InChIKeyHYTSSRJLTXZVAJ-UHFFFAOYSA-N
XLogP1.39
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 [(3-methylcyclohexylidene)amino]thiourea?
The IUPAC name of [(3-methylcyclohexylidene)amino]thiourea (CID 74405055) is [(3-methylcyclohexylidene)amino]thiourea.
What is the SMILES notation for [(3-methylcyclohexylidene)amino]thiourea?
The canonical SMILES for [(3-methylcyclohexylidene)amino]thiourea is CC1CCCC(=NNC(N)=S)C1.
What is the InChIKey of [(3-methylcyclohexylidene)amino]thiourea?
The InChIKey is HYTSSRJLTXZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6-3-2-4-7(5-6)10-11-8(9)12/h6H,2-5H2,1H3,(H3,9,11,12).
What are the key properties of [(3-methylcyclohexylidene)amino]thiourea?
[(3-methylcyclohexylidene)amino]thiourea has a molecular weight of 185.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylcyclohexylidene)amino]thiourea is sourced from PubChem (CID 74405055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).