[(Z)-octadec-9-enyl]thiourea

C19H38N2S — CID 88689246

IUPAC[(Z)-octadec-9-enyl]thiourea
SMILESCCCCCCCC/C=C\CCCCCCCCNC(N)=S
InChIInChI=1S/C19H38N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)22/h9-10H,2-8,11-18H2,1H3,(H3,20,21,22)/b10-9-
InChIKeyKUEQRJMMNUDSQY-KTKRTIGZSA-N
MW326.59 g/mol
LogP5.86
Rot. Bonds16

About [(Z)-octadec-9-enyl]thiourea

[(Z)-octadec-9-enyl]thiourea (PubChem CID 88689246) has the molecular formula C19H38N2S and a molecular weight of 326.59 g/mol. Its IUPAC name is [(Z)-octadec-9-enyl]thiourea.

Molecular Properties

Compound Name[(Z)-octadec-9-enyl]thiourea
PubChem CID88689246
Molecular FormulaC19H38N2S
Molecular Weight326.59 g/mol
Exact Mass326.28
IUPAC Name[(Z)-octadec-9-enyl]thiourea
SMILESCCCCCCCC/C=C\CCCCCCCCNC(N)=S
InChIInChI=1S/C19H38N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)22/h9-10H,2-8,11-18H2,1H3,(H3,20,21,22)/b10-9-
InChIKeyKUEQRJMMNUDSQY-KTKRTIGZSA-N
XLogP5.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.59
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-octadec-9-enyl]thiourea?
The IUPAC name of [(Z)-octadec-9-enyl]thiourea (CID 88689246) is [(Z)-octadec-9-enyl]thiourea.
What is the SMILES notation for [(Z)-octadec-9-enyl]thiourea?
The canonical SMILES for [(Z)-octadec-9-enyl]thiourea is CCCCCCCC/C=C\CCCCCCCCNC(N)=S.
What is the InChIKey of [(Z)-octadec-9-enyl]thiourea?
The InChIKey is KUEQRJMMNUDSQY-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H38N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)22/h9-10H,2-8,11-18H2,1H3,(H3,20,21,22)/b10-9-.
What are the key properties of [(Z)-octadec-9-enyl]thiourea?
[(Z)-octadec-9-enyl]thiourea has a molecular weight of 326.59 g/mol, XLogP of 5.86, 16 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-octadec-9-enyl]thiourea is sourced from PubChem (CID 88689246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).