[(E)-(2-benzylcyclohexylidene)amino]thiourea

C14H19N3S — CID 24859540

IUPAC[(E)-(2-benzylcyclohexylidene)amino]thiourea
SMILESNC(=S)N/N=C1\CCCCC1Cc1ccccc1
InChIInChI=1S/C14H19N3S/c15-14(18)17-16-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H3,15,17,18)/b16-13+
InChIKeySFVMIEYLGRWRKD-DTQAZKPQSA-N
MW261.39 g/mol
LogP2.61
Rot. Bonds3

About [(E)-(2-benzylcyclohexylidene)amino]thiourea

[(E)-(2-benzylcyclohexylidene)amino]thiourea (PubChem CID 24859540) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is [(E)-(2-benzylcyclohexylidene)amino]thiourea.

Molecular Properties

Compound Name[(E)-(2-benzylcyclohexylidene)amino]thiourea
PubChem CID24859540
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name[(E)-(2-benzylcyclohexylidene)amino]thiourea
SMILESNC(=S)N/N=C1\CCCCC1Cc1ccccc1
InChIInChI=1S/C14H19N3S/c15-14(18)17-16-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H3,15,17,18)/b16-13+
InChIKeySFVMIEYLGRWRKD-DTQAZKPQSA-N
XLogP2.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.61
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 [(E)-(2-benzylcyclohexylidene)amino]thiourea?
The IUPAC name of [(E)-(2-benzylcyclohexylidene)amino]thiourea (CID 24859540) is [(E)-(2-benzylcyclohexylidene)amino]thiourea.
What is the SMILES notation for [(E)-(2-benzylcyclohexylidene)amino]thiourea?
The canonical SMILES for [(E)-(2-benzylcyclohexylidene)amino]thiourea is NC(=S)N/N=C1\CCCCC1Cc1ccccc1.
What is the InChIKey of [(E)-(2-benzylcyclohexylidene)amino]thiourea?
The InChIKey is SFVMIEYLGRWRKD-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H19N3S/c15-14(18)17-16-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H3,15,17,18)/b16-13+.
What are the key properties of [(E)-(2-benzylcyclohexylidene)amino]thiourea?
[(E)-(2-benzylcyclohexylidene)amino]thiourea has a molecular weight of 261.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-benzylcyclohexylidene)amino]thiourea is sourced from PubChem (CID 24859540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).