[(2-hexylcyclopentylidene)amino]thiourea

C12H23N3S — CID 2835896

IUPAC[(2-hexylcyclopentylidene)amino]thiourea
SMILESCCCCCCC1CCCC1=NNC(N)=S
InChIInChI=1S/C12H23N3S/c1-2-3-4-5-7-10-8-6-9-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16)
InChIKeyOWGUSBISUVLUJF-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.95
Rot. Bonds6

About [(2-hexylcyclopentylidene)amino]thiourea

[(2-hexylcyclopentylidene)amino]thiourea (PubChem CID 2835896) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is [(2-hexylcyclopentylidene)amino]thiourea.

Molecular Properties

Compound Name[(2-hexylcyclopentylidene)amino]thiourea
PubChem CID2835896
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name[(2-hexylcyclopentylidene)amino]thiourea
SMILESCCCCCCC1CCCC1=NNC(N)=S
InChIInChI=1S/C12H23N3S/c1-2-3-4-5-7-10-8-6-9-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16)
InChIKeyOWGUSBISUVLUJF-UHFFFAOYSA-N
XLogP2.95
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(2-hexylcyclopentylidene)amino]thiourea?
The IUPAC name of [(2-hexylcyclopentylidene)amino]thiourea (CID 2835896) is [(2-hexylcyclopentylidene)amino]thiourea.
What is the SMILES notation for [(2-hexylcyclopentylidene)amino]thiourea?
The canonical SMILES for [(2-hexylcyclopentylidene)amino]thiourea is CCCCCCC1CCCC1=NNC(N)=S.
What is the InChIKey of [(2-hexylcyclopentylidene)amino]thiourea?
The InChIKey is OWGUSBISUVLUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-2-3-4-5-7-10-8-6-9-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16).
What are the key properties of [(2-hexylcyclopentylidene)amino]thiourea?
[(2-hexylcyclopentylidene)amino]thiourea has a molecular weight of 241.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hexylcyclopentylidene)amino]thiourea is sourced from PubChem (CID 2835896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).