1-(3-acetylphenyl)-3-propylthiourea

C12H16N2OS — CID 8626664

IUPAC1-(3-acetylphenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C12H16N2OS/c1-3-7-13-12(16)14-11-6-4-5-10(8-11)9(2)15/h4-6,8H,3,7H2,1-2H3,(H2,13,14,16)
InChIKeyUTCVQQOYCBNRFF-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-acetylphenyl)-3-propylthiourea

1-(3-acetylphenyl)-3-propylthiourea (PubChem CID 8626664) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-propylthiourea
PubChem CID8626664
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(3-acetylphenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C12H16N2OS/c1-3-7-13-12(16)14-11-6-4-5-10(8-11)9(2)15/h4-6,8H,3,7H2,1-2H3,(H2,13,14,16)
InChIKeyUTCVQQOYCBNRFF-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-acetylphenyl)-3-heptylthiourea
CID 19650862
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523
methyl 3-(butylcarbamothioylamino)benzoate
CID 17265371
1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 970948
1-propyl-3-(3-sulfamoylphenyl)thiourea
CID 8620369
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
1-(3-cyanophenyl)-3-propylthiourea
CID 7941260
1-(3-acetylphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 970859
N-(3-acetylphenyl)propanamide
CID 903063
N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
1-(3-acetylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53489029

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-propylthiourea?
The IUPAC name of 1-(3-acetylphenyl)-3-propylthiourea (CID 8626664) is 1-(3-acetylphenyl)-3-propylthiourea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-propylthiourea?
The canonical SMILES for 1-(3-acetylphenyl)-3-propylthiourea is CCCNC(=S)Nc1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-propylthiourea?
The InChIKey is UTCVQQOYCBNRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-7-13-12(16)14-11-6-4-5-10(8-11)9(2)15/h4-6,8H,3,7H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(3-acetylphenyl)-3-propylthiourea?
1-(3-acetylphenyl)-3-propylthiourea has a molecular weight of 236.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-propylthiourea is sourced from PubChem (CID 8626664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).