1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea

C11H17N3S — CID 54120941

IUPAC1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea
SMILESCNc1ccccc1N(C)C(=S)N(C)C
InChIInChI=1S/C11H17N3S/c1-12-9-7-5-6-8-10(9)14(4)11(15)13(2)3/h5-8,12H,1-4H3
InChIKeyBZPOGFGUELHOQB-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.01
Rot. Bonds2

About 1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea

1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea (PubChem CID 54120941) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea
PubChem CID54120941
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea
SMILESCNc1ccccc1N(C)C(=S)N(C)C
InChIInChI=1S/C11H17N3S/c1-12-9-7-5-6-8-10(9)14(4)11(15)13(2)3/h5-8,12H,1-4H3
InChIKeyBZPOGFGUELHOQB-UHFFFAOYSA-N
XLogP2.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
1-N,2-N-dimethyl-2-N-[2-(methylamino)phenyl]benzene-1,2-diamine
CID 22968799
2-N-(1-amino-3-methyliminoprop-1-en-2-yl)-1-N,2-N-dimethylbenzene-1,2-diamine
CID 166993755
1-[2-(carbamothioylamino)phenyl]-1-methylthiourea
CID 141368736
[2-(methylamino)phenyl]thiourea
CID 91755766
N-[[2-[acetylcarbamothioyl(methyl)amino]phenyl]carbamothioyl]acetamide
CID 163627003
2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline
CID 158394511
2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 161139066
N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide
CID 100940679
2-(dimethylamino)-6-(methylamino)benzoic acid
CID 18173452
N,2-dimethylaniline
CID 163768915
2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90734970

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea?
The IUPAC name of 1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea (CID 54120941) is 1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea.
What is the SMILES notation for 1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea?
The canonical SMILES for 1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea is CNc1ccccc1N(C)C(=S)N(C)C.
What is the InChIKey of 1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea?
The InChIKey is BZPOGFGUELHOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-12-9-7-5-6-8-10(9)14(4)11(15)13(2)3/h5-8,12H,1-4H3.
What are the key properties of 1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea?
1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea has a molecular weight of 223.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea is sourced from PubChem (CID 54120941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).