1-methyl-1-phenylthiourea

C8H10N2S — CID 723631

IUPAC1-methyl-1-phenylthiourea
SMILESCN(C(N)=S)c1ccccc1
InChIInChI=1S/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKeyMCWZNJNWGQPUGL-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.37
Rot. Bonds1

About 1-methyl-1-phenylthiourea

1-methyl-1-phenylthiourea (PubChem CID 723631) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 1-methyl-1-phenylthiourea.

Molecular Properties

Compound Name1-methyl-1-phenylthiourea
PubChem CID723631
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name1-methyl-1-phenylthiourea
SMILESCN(C(N)=S)c1ccccc1
InChIInChI=1S/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKeyMCWZNJNWGQPUGL-UHFFFAOYSA-N
XLogP1.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethylaniline
CID 949
Diphenylthiourea
CID 700999
Phenylthiourea
CID 676454
Fenuron
CID 7560
N,N-dimethyl-p-phenylenediamine
CID 7472
Trimethylphenylammonium iodide
CID 94135
N-(2-Methylphenyl)thiourea
CID 2787703
Phenyltrimethylammonium chloride
CID 67309
Thiourea, (3-methylphenyl)-
CID 701727
1-Allyl-3-phenyl-2-thiourea
CID 1549745
N-Phenylethanethioamide
CID 820777
Phenyltrimethylammonium bromide
CID 27663

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenylthiourea?
The IUPAC name of 1-methyl-1-phenylthiourea (CID 723631) is 1-methyl-1-phenylthiourea.
What is the SMILES notation for 1-methyl-1-phenylthiourea?
The canonical SMILES for 1-methyl-1-phenylthiourea is CN(C(N)=S)c1ccccc1.
What is the InChIKey of 1-methyl-1-phenylthiourea?
The InChIKey is MCWZNJNWGQPUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11).
What are the key properties of 1-methyl-1-phenylthiourea?
1-methyl-1-phenylthiourea has a molecular weight of 166.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenylthiourea is sourced from PubChem (CID 723631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).