1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea

C10H15N3S — CID 6521954

IUPAC1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea
SMILESCCNC(=S)N/N=C1/CC2CC=CC12
InChIInChI=1S/C10H15N3S/c1-2-11-10(14)13-12-9-6-7-4-3-5-8(7)9/h3,5,7-8H,2,4,6H2,1H3,(H2,11,13,14)/b12-9-
InChIKeyKXATXWFVTVRIEU-XFXZXTDPSA-N
MW209.32 g/mol
LogP1.42
Rot. Bonds2

About 1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea

1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea (PubChem CID 6521954) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea.

Molecular Properties

Compound Name1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea
PubChem CID6521954
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea
SMILESCCNC(=S)N/N=C1/CC2CC=CC12
InChIInChI=1S/C10H15N3S/c1-2-11-10(14)13-12-9-6-7-4-3-5-8(7)9/h3,5,7-8H,2,4,6H2,1H3,(H2,11,13,14)/b12-9-
InChIKeyKXATXWFVTVRIEU-XFXZXTDPSA-N
XLogP1.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea?
The IUPAC name of 1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea (CID 6521954) is 1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea.
What is the SMILES notation for 1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea?
The canonical SMILES for 1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea is CCNC(=S)N/N=C1/CC2CC=CC12.
What is the InChIKey of 1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea?
The InChIKey is KXATXWFVTVRIEU-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-11-10(14)13-12-9-6-7-4-3-5-8(7)9/h3,5,7-8H,2,4,6H2,1H3,(H2,11,13,14)/b12-9-.
What are the key properties of 1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea?
1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea has a molecular weight of 209.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-ethylthiourea is sourced from PubChem (CID 6521954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).