1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea

C10H12ClN3OS — CID 61124006

IUPAC1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea
SMILESCC(NC(=O)Nc1ccccc1Cl)C(N)=S
InChIInChI=1S/C10H12ClN3OS/c1-6(9(12)16)13-10(15)14-8-5-3-2-4-7(8)11/h2-6H,1H3,(H2,12,16)(H2,13,14,15)
InChIKeyUUBXXHYGGPQWLJ-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.14
Rot. Bonds3

About 1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea

1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea (PubChem CID 61124006) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea
PubChem CID61124006
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea
SMILESCC(NC(=O)Nc1ccccc1Cl)C(N)=S
InChIInChI=1S/C10H12ClN3OS/c1-6(9(12)16)13-10(15)14-8-5-3-2-4-7(8)11/h2-6H,1H3,(H2,12,16)(H2,13,14,15)
InChIKeyUUBXXHYGGPQWLJ-UHFFFAOYSA-N
XLogP2.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
1-carbamothioyl-3-(2-chlorophenyl)urea
CID 134087665
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 61122804
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3-chlorophenyl)urea
CID 61122602
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
1-(2-chlorophenyl)-3-(4-hydroxypentan-2-yl)urea
CID 113376614
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-(2-chlorophenyl)-3-[(1S)-2,2,2-trichloro-1-hydroxyethyl]urea
CID 163171091
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756505

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea (CID 61124006) is 1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea is CC(NC(=O)Nc1ccccc1Cl)C(N)=S.
What is the InChIKey of 1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea?
The InChIKey is UUBXXHYGGPQWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-6(9(12)16)13-10(15)14-8-5-3-2-4-7(8)11/h2-6H,1H3,(H2,12,16)(H2,13,14,15).
What are the key properties of 1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea?
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea has a molecular weight of 257.75 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(2-chlorophenyl)urea is sourced from PubChem (CID 61124006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).