[(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea

C7H9N3S2 — CID 5363938

IUPAC[(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea
SMILESCc1ccc(/C=N/NC(N)=S)s1
InChIInChI=1S/C7H9N3S2/c1-5-2-3-6(12-5)4-9-10-7(8)11/h2-4H,1H3,(H3,8,10,11)/b9-4+
InChIKeyDQHCYNJJYRJYLA-RUDMXATFSA-N
MW199.30 g/mol
LogP1.22
Rot. Bonds2

About [(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea

[(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea (PubChem CID 5363938) has the molecular formula C7H9N3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is [(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea
PubChem CID5363938
Molecular FormulaC7H9N3S2
Molecular Weight199.30 g/mol
Exact Mass199.02
IUPAC Name[(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea
SMILESCc1ccc(/C=N/NC(N)=S)s1
InChIInChI=1S/C7H9N3S2/c1-5-2-3-6(12-5)4-9-10-7(8)11/h2-4H,1H3,(H3,8,10,11)/b9-4+
InChIKeyDQHCYNJJYRJYLA-RUDMXATFSA-N
XLogP1.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
The IUPAC name of [(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea (CID 5363938) is [(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea is Cc1ccc(/C=N/NC(N)=S)s1.
What is the InChIKey of [(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
The InChIKey is DQHCYNJJYRJYLA-RUDMXATFSA-N. The full InChI is InChI=1S/C7H9N3S2/c1-5-2-3-6(12-5)4-9-10-7(8)11/h2-4H,1H3,(H3,8,10,11)/b9-4+.
What are the key properties of [(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
[(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea has a molecular weight of 199.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 5363938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).