[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea

C10H18N2S — CID 130193513

IUPAC[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea
SMILESCC/C=C(C)\C(=C/CC)NC(N)=S
InChIInChI=1S/C10H18N2S/c1-4-6-8(3)9(7-5-2)12-10(11)13/h6-7H,4-5H2,1-3H3,(H3,11,12,13)/b8-6-,9-7+
InChIKeySYFSMJFKUGJLLW-MKKAVFGOSA-N
MW198.33 g/mol
LogP2.47
Rot. Bonds4

About [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea

[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea (PubChem CID 130193513) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea.

Molecular Properties

Compound Name[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea
PubChem CID130193513
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea
SMILESCC/C=C(C)\C(=C/CC)NC(N)=S
InChIInChI=1S/C10H18N2S/c1-4-6-8(3)9(7-5-2)12-10(11)13/h6-7H,4-5H2,1-3H3,(H3,11,12,13)/b8-6-,9-7+
InChIKeySYFSMJFKUGJLLW-MKKAVFGOSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea?
The IUPAC name of [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea (CID 130193513) is [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea.
What is the SMILES notation for [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea?
The canonical SMILES for [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea is CC/C=C(C)\C(=C/CC)NC(N)=S.
What is the InChIKey of [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea?
The InChIKey is SYFSMJFKUGJLLW-MKKAVFGOSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-6-8(3)9(7-5-2)12-10(11)13/h6-7H,4-5H2,1-3H3,(H3,11,12,13)/b8-6-,9-7+.
What are the key properties of [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea?
[(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea has a molecular weight of 198.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-5-methylocta-3,5-dien-4-yl]thiourea is sourced from PubChem (CID 130193513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).