(2,3-dimethylanilino)thiourea

C9H13N3S — CID 3809315

IUPAC(2,3-dimethylanilino)thiourea
SMILESCc1cccc(NNC(N)=S)c1C
InChIInChI=1S/C9H13N3S/c1-6-4-3-5-8(7(6)2)11-12-9(10)13/h3-5,11H,1-2H3,(H3,10,12,13)
InChIKeyAKMOMQJDVWEYEZ-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.46
Rot. Bonds2

About (2,3-dimethylanilino)thiourea

(2,3-dimethylanilino)thiourea (PubChem CID 3809315) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is (2,3-dimethylanilino)thiourea.

Molecular Properties

Compound Name(2,3-dimethylanilino)thiourea
PubChem CID3809315
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name(2,3-dimethylanilino)thiourea
SMILESCc1cccc(NNC(N)=S)c1C
InChIInChI=1S/C9H13N3S/c1-6-4-3-5-8(7(6)2)11-12-9(10)13/h3-5,11H,1-2H3,(H3,10,12,13)
InChIKeyAKMOMQJDVWEYEZ-UHFFFAOYSA-N
XLogP1.46
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2,3-dimethylanilino)thiourea?
The IUPAC name of (2,3-dimethylanilino)thiourea (CID 3809315) is (2,3-dimethylanilino)thiourea.
What is the SMILES notation for (2,3-dimethylanilino)thiourea?
The canonical SMILES for (2,3-dimethylanilino)thiourea is Cc1cccc(NNC(N)=S)c1C.
What is the InChIKey of (2,3-dimethylanilino)thiourea?
The InChIKey is AKMOMQJDVWEYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-6-4-3-5-8(7(6)2)11-12-9(10)13/h3-5,11H,1-2H3,(H3,10,12,13).
What are the key properties of (2,3-dimethylanilino)thiourea?
(2,3-dimethylanilino)thiourea has a molecular weight of 195.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylanilino)thiourea is sourced from PubChem (CID 3809315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).