[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea

C8H13N3S — CID 7750219

IUPAC[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea
SMILESNC(=S)N/N=C\[C@@H]1CC=CCC1
InChIInChI=1S/C8H13N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H3,9,11,12)/b10-6-/t7-/m1/s1
InChIKeyZJKUICRLPHEVNO-LWYMYGMPSA-N
MW183.28 g/mol
LogP1.16
Rot. Bonds2

About [(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea

[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea (PubChem CID 7750219) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is [(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea
PubChem CID7750219
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea
SMILESNC(=S)N/N=C\[C@@H]1CC=CCC1
InChIInChI=1S/C8H13N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H3,9,11,12)/b10-6-/t7-/m1/s1
InChIKeyZJKUICRLPHEVNO-LWYMYGMPSA-N
XLogP1.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.16
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 [(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea?
The IUPAC name of [(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea (CID 7750219) is [(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea.
What is the SMILES notation for [(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea?
The canonical SMILES for [(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea is NC(=S)N/N=C\[C@@H]1CC=CCC1.
What is the InChIKey of [(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea?
The InChIKey is ZJKUICRLPHEVNO-LWYMYGMPSA-N. The full InChI is InChI=1S/C8H13N3S/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H3,9,11,12)/b10-6-/t7-/m1/s1.
What are the key properties of [(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea?
[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea has a molecular weight of 183.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea is sourced from PubChem (CID 7750219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).