[(3,5-dimethylcyclohexylidene)amino]thiourea

C9H17N3S — CID 65212363

IUPAC[(3,5-dimethylcyclohexylidene)amino]thiourea
SMILESCC1CC(=NNC(N)=S)CC(C)C1
InChIInChI=1S/C9H17N3S/c1-6-3-7(2)5-8(4-6)11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13)
InChIKeyZWKDXAQVRQSJOZ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.63
Rot. Bonds1

About [(3,5-dimethylcyclohexylidene)amino]thiourea

[(3,5-dimethylcyclohexylidene)amino]thiourea (PubChem CID 65212363) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is [(3,5-dimethylcyclohexylidene)amino]thiourea.

Molecular Properties

Compound Name[(3,5-dimethylcyclohexylidene)amino]thiourea
PubChem CID65212363
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name[(3,5-dimethylcyclohexylidene)amino]thiourea
SMILESCC1CC(=NNC(N)=S)CC(C)C1
InChIInChI=1S/C9H17N3S/c1-6-3-7(2)5-8(4-6)11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13)
InChIKeyZWKDXAQVRQSJOZ-UHFFFAOYSA-N
XLogP1.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.63
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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Related Compounds

[[(3R)-3-methylcyclohexylidene]amino]thiourea
CID 124838605
[(4-propan-2-ylcyclohexylidene)amino]thiourea
CID 65212366
(cyclopentylideneamino)thiourea
CID 690102
(cyclobutylideneamino)thiourea
CID 5091999
[(1-cyclopropyl-5-methylpyrrolidin-3-ylidene)amino]thiourea
CID 104866758
[(5-methyl-2-propan-2-ylidenecyclohexylidene)amino]thiourea
CID 3003803
[(3-methoxycyclohexylidene)amino]thiourea
CID 106874576
[[3-(2-methylpropyl)cyclohexylidene]amino]thiourea
CID 107430497
N-(3,5-dimethylcyclohexylidene)hydroxylamine
CID 580917
(thian-4-ylideneamino)thiourea
CID 4536557
[(E)-(3-methylcyclopentylidene)amino]urea
CID 5380591
(oxolan-3-ylideneamino)thiourea
CID 77060273

Frequently Asked Questions

What is the IUPAC name of [(3,5-dimethylcyclohexylidene)amino]thiourea?
The IUPAC name of [(3,5-dimethylcyclohexylidene)amino]thiourea (CID 65212363) is [(3,5-dimethylcyclohexylidene)amino]thiourea.
What is the SMILES notation for [(3,5-dimethylcyclohexylidene)amino]thiourea?
The canonical SMILES for [(3,5-dimethylcyclohexylidene)amino]thiourea is CC1CC(=NNC(N)=S)CC(C)C1.
What is the InChIKey of [(3,5-dimethylcyclohexylidene)amino]thiourea?
The InChIKey is ZWKDXAQVRQSJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6-3-7(2)5-8(4-6)11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13).
What are the key properties of [(3,5-dimethylcyclohexylidene)amino]thiourea?
[(3,5-dimethylcyclohexylidene)amino]thiourea has a molecular weight of 199.32 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethylcyclohexylidene)amino]thiourea is sourced from PubChem (CID 65212363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).