1-carbamothioyl-3-(3,4-dichlorophenyl)urea

C8H7Cl2N3OS — CID 134095672

IUPAC1-carbamothioyl-3-(3,4-dichlorophenyl)urea
SMILESNC(=S)NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2N3OS/c9-5-2-1-4(3-6(5)10)12-8(14)13-7(11)15/h1-3H,(H4,11,12,13,14,15)
InChIKeyYCJNYJOMRWTMRY-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.36
Rot. Bonds1

About 1-carbamothioyl-3-(3,4-dichlorophenyl)urea

1-carbamothioyl-3-(3,4-dichlorophenyl)urea (PubChem CID 134095672) has the molecular formula C8H7Cl2N3OS and a molecular weight of 264.14 g/mol. Its IUPAC name is 1-carbamothioyl-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-carbamothioyl-3-(3,4-dichlorophenyl)urea
PubChem CID134095672
Molecular FormulaC8H7Cl2N3OS
Molecular Weight264.14 g/mol
Exact Mass262.97
IUPAC Name1-carbamothioyl-3-(3,4-dichlorophenyl)urea
SMILESNC(=S)NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2N3OS/c9-5-2-1-4(3-6(5)10)12-8(14)13-7(11)15/h1-3H,(H4,11,12,13,14,15)
InChIKeyYCJNYJOMRWTMRY-UHFFFAOYSA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.36
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

1-(2-amino-2-sulfanylideneethyl)-3-(3,4-dichlorophenyl)urea
CID 61127485
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 61122804
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-[carbamothioyl(propan-2-yl)amino]-3-(3,4-dichlorophenyl)urea
CID 110190467
1,3-bis(3,4-dichlorophenyl)thiourea
CID 4763349
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-carbamothioyl-3-(2-chlorophenyl)urea
CID 134087665
1-(benzenecarbonothioylamino)-3-(3,4-dichlorophenyl)urea
CID 4198960

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-carbamothioyl-3-(3,4-dichlorophenyl)urea (CID 134095672) is 1-carbamothioyl-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-carbamothioyl-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-carbamothioyl-3-(3,4-dichlorophenyl)urea is NC(=S)NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-carbamothioyl-3-(3,4-dichlorophenyl)urea?
The InChIKey is YCJNYJOMRWTMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3OS/c9-5-2-1-4(3-6(5)10)12-8(14)13-7(11)15/h1-3H,(H4,11,12,13,14,15).
What are the key properties of 1-carbamothioyl-3-(3,4-dichlorophenyl)urea?
1-carbamothioyl-3-(3,4-dichlorophenyl)urea has a molecular weight of 264.14 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 134095672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).