1-methyl-3-(2-phenylethyl)thiourea

C10H14N2S — CID 2725299

IUPAC1-methyl-3-(2-phenylethyl)thiourea
SMILESCNC(=S)NCCc1ccccc1
InChIInChI=1S/C10H14N2S/c1-11-10(13)12-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12,13)
InChIKeyGTVQFANYVOCBMZ-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.32
Rot. Bonds3

About 1-methyl-3-(2-phenylethyl)thiourea

1-methyl-3-(2-phenylethyl)thiourea (PubChem CID 2725299) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(2-phenylethyl)thiourea
PubChem CID2725299
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name1-methyl-3-(2-phenylethyl)thiourea
SMILESCNC(=S)NCCc1ccccc1
InChIInChI=1S/C10H14N2S/c1-11-10(13)12-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12,13)
InChIKeyGTVQFANYVOCBMZ-UHFFFAOYSA-N
XLogP1.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-methyl-3-(2-phenylethyl)thiourea (CID 2725299) is 1-methyl-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-methyl-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-methyl-3-(2-phenylethyl)thiourea is CNC(=S)NCCc1ccccc1.
What is the InChIKey of 1-methyl-3-(2-phenylethyl)thiourea?
The InChIKey is GTVQFANYVOCBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-11-10(13)12-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-methyl-3-(2-phenylethyl)thiourea?
1-methyl-3-(2-phenylethyl)thiourea has a molecular weight of 194.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 2725299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).