[4-(dimethylamino)phenyl]thiourea

C9H13N3S — CID 2758514

IUPAC[4-(dimethylamino)phenyl]thiourea
SMILESCN(C)c1ccc(NC(N)=S)cc1
InChIInChI=1S/C9H13N3S/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h3-6H,1-2H3,(H3,10,11,13)
InChIKeyIETJMRDFWVXWMR-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.41
Rot. Bonds2

About [4-(dimethylamino)phenyl]thiourea

[4-(dimethylamino)phenyl]thiourea (PubChem CID 2758514) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]thiourea.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]thiourea
PubChem CID2758514
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name[4-(dimethylamino)phenyl]thiourea
SMILESCN(C)c1ccc(NC(N)=S)cc1
InChIInChI=1S/C9H13N3S/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h3-6H,1-2H3,(H3,10,11,13)
InChIKeyIETJMRDFWVXWMR-UHFFFAOYSA-N
XLogP1.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]thiourea?
The IUPAC name of [4-(dimethylamino)phenyl]thiourea (CID 2758514) is [4-(dimethylamino)phenyl]thiourea.
What is the SMILES notation for [4-(dimethylamino)phenyl]thiourea?
The canonical SMILES for [4-(dimethylamino)phenyl]thiourea is CN(C)c1ccc(NC(N)=S)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]thiourea?
The InChIKey is IETJMRDFWVXWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-12(2)8-5-3-7(4-6-8)11-9(10)13/h3-6H,1-2H3,(H3,10,11,13).
What are the key properties of [4-(dimethylamino)phenyl]thiourea?
[4-(dimethylamino)phenyl]thiourea has a molecular weight of 195.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]thiourea is sourced from PubChem (CID 2758514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).