[(4-propan-2-ylcyclohexylidene)amino]thiourea

C10H19N3S — CID 65212366

IUPAC[(4-propan-2-ylcyclohexylidene)amino]thiourea
SMILESCC(C)C1CCC(=NNC(N)=S)CC1
InChIInChI=1S/C10H19N3S/c1-7(2)8-3-5-9(6-4-8)12-13-10(11)14/h7-8H,3-6H2,1-2H3,(H3,11,13,14)/b12-9-
InChIKeyWPPDJWXWPGPLPO-XFXZXTDPSA-N
MW213.35 g/mol
LogP2.02
Rot. Bonds2

About [(4-propan-2-ylcyclohexylidene)amino]thiourea

[(4-propan-2-ylcyclohexylidene)amino]thiourea (PubChem CID 65212366) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is [(4-propan-2-ylcyclohexylidene)amino]thiourea.

Molecular Properties

Compound Name[(4-propan-2-ylcyclohexylidene)amino]thiourea
PubChem CID65212366
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name[(4-propan-2-ylcyclohexylidene)amino]thiourea
SMILESCC(C)C1CCC(=NNC(N)=S)CC1
InChIInChI=1S/C10H19N3S/c1-7(2)8-3-5-9(6-4-8)12-13-10(11)14/h7-8H,3-6H2,1-2H3,(H3,11,13,14)/b12-9-
InChIKeyWPPDJWXWPGPLPO-XFXZXTDPSA-N
XLogP2.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.02
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 [(4-propan-2-ylcyclohexylidene)amino]thiourea?
The IUPAC name of [(4-propan-2-ylcyclohexylidene)amino]thiourea (CID 65212366) is [(4-propan-2-ylcyclohexylidene)amino]thiourea.
What is the SMILES notation for [(4-propan-2-ylcyclohexylidene)amino]thiourea?
The canonical SMILES for [(4-propan-2-ylcyclohexylidene)amino]thiourea is CC(C)C1CCC(=NNC(N)=S)CC1.
What is the InChIKey of [(4-propan-2-ylcyclohexylidene)amino]thiourea?
The InChIKey is WPPDJWXWPGPLPO-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(2)8-3-5-9(6-4-8)12-13-10(11)14/h7-8H,3-6H2,1-2H3,(H3,11,13,14)/b12-9-.
What are the key properties of [(4-propan-2-ylcyclohexylidene)amino]thiourea?
[(4-propan-2-ylcyclohexylidene)amino]thiourea has a molecular weight of 213.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-propan-2-ylcyclohexylidene)amino]thiourea is sourced from PubChem (CID 65212366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).