(2-propanoylphenyl)thiourea

C10H12N2OS — CID 169357022

IUPAC(2-propanoylphenyl)thiourea
SMILESCCC(=O)c1ccccc1NC(N)=S
InChIInChI=1S/C10H12N2OS/c1-2-9(13)7-5-3-4-6-8(7)12-10(11)14/h3-6H,2H2,1H3,(H3,11,12,14)
InChIKeyUAKNTVNIVIUZKN-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.93
Rot. Bonds3

About (2-propanoylphenyl)thiourea

(2-propanoylphenyl)thiourea (PubChem CID 169357022) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (2-propanoylphenyl)thiourea.

Molecular Properties

Compound Name(2-propanoylphenyl)thiourea
PubChem CID169357022
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(2-propanoylphenyl)thiourea
SMILESCCC(=O)c1ccccc1NC(N)=S
InChIInChI=1S/C10H12N2OS/c1-2-9(13)7-5-3-4-6-8(7)12-10(11)14/h3-6H,2H2,1H3,(H3,11,12,14)
InChIKeyUAKNTVNIVIUZKN-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.93
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

2-(carbamothioylamino)-N-(4-ethylphenyl)benzamide
CID 169357769
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
ethyl 2-(propanoylamino)benzoate
CID 4190428
2-(2-ethylbutanoylamino)benzamide
CID 1214109
[2-(methylamino)phenyl]thiourea
CID 91755766
2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide
CID 169359188
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
2-(3-aminopropanoylamino)benzamide
CID 22692052

Frequently Asked Questions

What is the IUPAC name of (2-propanoylphenyl)thiourea?
The IUPAC name of (2-propanoylphenyl)thiourea (CID 169357022) is (2-propanoylphenyl)thiourea.
What is the SMILES notation for (2-propanoylphenyl)thiourea?
The canonical SMILES for (2-propanoylphenyl)thiourea is CCC(=O)c1ccccc1NC(N)=S.
What is the InChIKey of (2-propanoylphenyl)thiourea?
The InChIKey is UAKNTVNIVIUZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-2-9(13)7-5-3-4-6-8(7)12-10(11)14/h3-6H,2H2,1H3,(H3,11,12,14).
What are the key properties of (2-propanoylphenyl)thiourea?
(2-propanoylphenyl)thiourea has a molecular weight of 208.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propanoylphenyl)thiourea is sourced from PubChem (CID 169357022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).