2-(4-methylphenyl)ethylthiourea

C10H14N2S — CID 23143314

IUPAC2-(4-methylphenyl)ethylthiourea
SMILESCc1ccc(CCNC(N)=S)cc1
InChIInChI=1S/C10H14N2S/c1-8-2-4-9(5-3-8)6-7-12-10(11)13/h2-5H,6-7H2,1H3,(H3,11,12,13)
InChIKeyYZVDTHGFCBXGJQ-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-methylphenyl)ethylthiourea

2-(4-methylphenyl)ethylthiourea (PubChem CID 23143314) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethylthiourea.

Molecular Properties

Compound Name2-(4-methylphenyl)ethylthiourea
PubChem CID23143314
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(4-methylphenyl)ethylthiourea
SMILESCc1ccc(CCNC(N)=S)cc1
InChIInChI=1S/C10H14N2S/c1-8-2-4-9(5-3-8)6-7-12-10(11)13/h2-5H,6-7H2,1H3,(H3,11,12,13)
InChIKeyYZVDTHGFCBXGJQ-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)methylthiourea;hydrochloride
CID 22226303
2-(4-nitrophenyl)ethylthiourea
CID 24973175
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
1-[2-(4-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111601681
3-amino-2-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180718
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
N-[2-(4-methylphenyl)ethyl]-3-oxobutanamide
CID 115176502
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)ethylthiourea?
The IUPAC name of 2-(4-methylphenyl)ethylthiourea (CID 23143314) is 2-(4-methylphenyl)ethylthiourea.
What is the SMILES notation for 2-(4-methylphenyl)ethylthiourea?
The canonical SMILES for 2-(4-methylphenyl)ethylthiourea is Cc1ccc(CCNC(N)=S)cc1.
What is the InChIKey of 2-(4-methylphenyl)ethylthiourea?
The InChIKey is YZVDTHGFCBXGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-8-2-4-9(5-3-8)6-7-12-10(11)13/h2-5H,6-7H2,1H3,(H3,11,12,13).
What are the key properties of 2-(4-methylphenyl)ethylthiourea?
2-(4-methylphenyl)ethylthiourea has a molecular weight of 194.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethylthiourea is sourced from PubChem (CID 23143314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).