(3,5-dimethylanilino)thiourea

C9H13N3S — CID 82281947

IUPAC(3,5-dimethylanilino)thiourea
SMILESCc1cc(C)cc(NNC(N)=S)c1
InChIInChI=1S/C9H13N3S/c1-6-3-7(2)5-8(4-6)11-12-9(10)13/h3-5,11H,1-2H3,(H3,10,12,13)
InChIKeyNOBOBVWWPWSEDT-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.46
Rot. Bonds2

About (3,5-dimethylanilino)thiourea

(3,5-dimethylanilino)thiourea (PubChem CID 82281947) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is (3,5-dimethylanilino)thiourea.

Molecular Properties

Compound Name(3,5-dimethylanilino)thiourea
PubChem CID82281947
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name(3,5-dimethylanilino)thiourea
SMILESCc1cc(C)cc(NNC(N)=S)c1
InChIInChI=1S/C9H13N3S/c1-6-3-7(2)5-8(4-6)11-12-9(10)13/h3-5,11H,1-2H3,(H3,10,12,13)
InChIKeyNOBOBVWWPWSEDT-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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Related Compounds

[(3,5-dimethylbenzoyl)amino]thiourea
CID 14091240
1-(3,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)carbamothioylamino]thiourea
CID 2422712
[4-(dimethylamino)anilino]thiourea
CID 87110505
(3-fluoroanilino)thiourea
CID 1482872
(2,4,5-trichloroanilino)thiourea
CID 130154547
(2,4,6-trimethylphenyl)thiourea
CID 2731118
1-anilino-3-(3-methylphenyl)thiourea
CID 8619974
1-(3,5-dimethylphenyl)-3-(phenylcarbamothioylamino)thiourea
CID 8001043
(4-sulfamoylanilino)thiourea
CID 2826112
(2-bromo-5-methylphenyl)thiourea
CID 82757187
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethylanilino)thiourea
CID 8786429
1-ethyl-3-(3-methylanilino)thiourea
CID 8668738

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylanilino)thiourea?
The IUPAC name of (3,5-dimethylanilino)thiourea (CID 82281947) is (3,5-dimethylanilino)thiourea.
What is the SMILES notation for (3,5-dimethylanilino)thiourea?
The canonical SMILES for (3,5-dimethylanilino)thiourea is Cc1cc(C)cc(NNC(N)=S)c1.
What is the InChIKey of (3,5-dimethylanilino)thiourea?
The InChIKey is NOBOBVWWPWSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-6-3-7(2)5-8(4-6)11-12-9(10)13/h3-5,11H,1-2H3,(H3,10,12,13).
What are the key properties of (3,5-dimethylanilino)thiourea?
(3,5-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 (3,5-dimethylanilino)thiourea is sourced from PubChem (CID 82281947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).