(cyclohex-2-en-1-ylideneamino)thiourea

C7H11N3S — CID 3349251

IUPAC(cyclohex-2-en-1-ylideneamino)thiourea
SMILESNC(=S)NN=C1C=CCCC1
InChIInChI=1S/C7H11N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h2,4H,1,3,5H2,(H3,8,10,11)
InChIKeyDCSDZQBAHAJINH-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.92
Rot. Bonds1

About (cyclohex-2-en-1-ylideneamino)thiourea

(cyclohex-2-en-1-ylideneamino)thiourea (PubChem CID 3349251) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is (cyclohex-2-en-1-ylideneamino)thiourea.

Molecular Properties

Compound Name(cyclohex-2-en-1-ylideneamino)thiourea
PubChem CID3349251
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name(cyclohex-2-en-1-ylideneamino)thiourea
SMILESNC(=S)NN=C1C=CCCC1
InChIInChI=1S/C7H11N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h2,4H,1,3,5H2,(H3,8,10,11)
InChIKeyDCSDZQBAHAJINH-UHFFFAOYSA-N
XLogP0.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.92
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 (cyclohex-2-en-1-ylideneamino)thiourea?
The IUPAC name of (cyclohex-2-en-1-ylideneamino)thiourea (CID 3349251) is (cyclohex-2-en-1-ylideneamino)thiourea.
What is the SMILES notation for (cyclohex-2-en-1-ylideneamino)thiourea?
The canonical SMILES for (cyclohex-2-en-1-ylideneamino)thiourea is NC(=S)NN=C1C=CCCC1.
What is the InChIKey of (cyclohex-2-en-1-ylideneamino)thiourea?
The InChIKey is DCSDZQBAHAJINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h2,4H,1,3,5H2,(H3,8,10,11).
What are the key properties of (cyclohex-2-en-1-ylideneamino)thiourea?
(cyclohex-2-en-1-ylideneamino)thiourea has a molecular weight of 169.25 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohex-2-en-1-ylideneamino)thiourea is sourced from PubChem (CID 3349251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).