[(Z)-4-methylpent-3-en-2-ylideneamino]thiourea

C7H13N3S — CID 44583134

IUPAC[(Z)-4-methylpent-3-en-2-ylideneamino]thiourea
SMILESCC(C)=C/C(C)=N\NC(N)=S
InChIInChI=1S/C7H13N3S/c1-5(2)4-6(3)9-10-7(8)11/h4H,1-3H3,(H3,8,10,11)/b9-6-
InChIKeyKSBSSDJKRMIXES-TWGQIWQCSA-N
MW171.27 g/mol
LogP1.16
Rot. Bonds2

About [(Z)-4-methylpent-3-en-2-ylideneamino]thiourea

[(Z)-4-methylpent-3-en-2-ylideneamino]thiourea (PubChem CID 44583134) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is [(Z)-4-methylpent-3-en-2-ylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-4-methylpent-3-en-2-ylideneamino]thiourea
PubChem CID44583134
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name[(Z)-4-methylpent-3-en-2-ylideneamino]thiourea
SMILESCC(C)=C/C(C)=N\NC(N)=S
InChIInChI=1S/C7H13N3S/c1-5(2)4-6(3)9-10-7(8)11/h4H,1-3H3,(H3,8,10,11)/b9-6-
InChIKeyKSBSSDJKRMIXES-TWGQIWQCSA-N
XLogP1.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
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': '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)-4-methylpent-3-en-2-ylideneamino]thiourea?
The IUPAC name of [(Z)-4-methylpent-3-en-2-ylideneamino]thiourea (CID 44583134) is [(Z)-4-methylpent-3-en-2-ylideneamino]thiourea.
What is the SMILES notation for [(Z)-4-methylpent-3-en-2-ylideneamino]thiourea?
The canonical SMILES for [(Z)-4-methylpent-3-en-2-ylideneamino]thiourea is CC(C)=C/C(C)=N\NC(N)=S.
What is the InChIKey of [(Z)-4-methylpent-3-en-2-ylideneamino]thiourea?
The InChIKey is KSBSSDJKRMIXES-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H13N3S/c1-5(2)4-6(3)9-10-7(8)11/h4H,1-3H3,(H3,8,10,11)/b9-6-.
What are the key properties of [(Z)-4-methylpent-3-en-2-ylideneamino]thiourea?
[(Z)-4-methylpent-3-en-2-ylideneamino]thiourea has a molecular weight of 171.27 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)-4-methylpent-3-en-2-ylideneamino]thiourea is sourced from PubChem (CID 44583134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).