[(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea

C8H13N3S — CID 6003169

IUPAC[(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea
SMILESCC1=C/C(=N\NC(N)=S)CCC1
InChIInChI=1S/C8H13N3S/c1-6-3-2-4-7(5-6)10-11-8(9)12/h5H,2-4H2,1H3,(H3,9,11,12)/b10-7-
InChIKeyYSFRPMZEKVIQMF-YFHOEESVSA-N
MW183.28 g/mol
LogP1.31
Rot. Bonds1

About [(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea

[(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea (PubChem CID 6003169) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is [(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea.

Molecular Properties

Compound Name[(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea
PubChem CID6003169
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name[(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea
SMILESCC1=C/C(=N\NC(N)=S)CCC1
InChIInChI=1S/C8H13N3S/c1-6-3-2-4-7(5-6)10-11-8(9)12/h5H,2-4H2,1H3,(H3,9,11,12)/b10-7-
InChIKeyYSFRPMZEKVIQMF-YFHOEESVSA-N
XLogP1.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.31
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

1-(4-Methylpent-3-en-2-ylidene)thiosemicarbazide
CID 44583134
(Cyclohex-2-en-1-ylideneamino)thiourea
CID 3349251
[(Z)-4,7-dimethyloct-6-en-3-ylideneamino]thiourea
CID 44563969
[(Z)-6-methylhept-5-en-2-ylideneamino]thiourea
CID 44563967
(2E)-2-[1-(3,3-dimethylcyclohex-1-en-1-yl)ethylidene]hydrazinecarbothioamide
CID 5342610
(2E)-2-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ylidene]hydrazinecarbothioamide
CID 6378256
[1-(3,3-Dimethylcyclohexen-1-yl)ethylideneamino]thiourea
CID 2867275
(Z)-2-(1-(3,3-dimethylcyclohex-1-en-1-yl)ethylidene)hydrazinecarbothioamide
CID 5725925
[(Z)-cyclohex-2-en-1-ylideneamino]thiourea
CID 5800297
(2Z)-2-(3,5-dimethylcyclopent-2-en-1-ylidene)hydrazinecarbothioamide
CID 6368649
[(E)-4-methylpent-3-en-2-ylideneamino]thiourea
CID 42603471
(5,6,7,8-tetrahydro-3H-naphthalen-2-ylideneamino)thiourea
CID 87179088

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea?
The IUPAC name of [(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea (CID 6003169) is [(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea.
What is the SMILES notation for [(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea?
The canonical SMILES for [(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea is CC1=C/C(=N\NC(N)=S)CCC1.
What is the InChIKey of [(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea?
The InChIKey is YSFRPMZEKVIQMF-YFHOEESVSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-3-2-4-7(5-6)10-11-8(9)12/h5H,2-4H2,1H3,(H3,9,11,12)/b10-7-.
What are the key properties of [(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea?
[(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea has a molecular weight of 183.28 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-methylcyclohex-2-en-1-ylidene)amino]thiourea is sourced from PubChem (CID 6003169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).