1-carbamothioyl-3-(3-chlorophenyl)thiourea

C8H8ClN3S2 — CID 12932383

IUPAC1-carbamothioyl-3-(3-chlorophenyl)thiourea
SMILESNC(=S)NC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C8H8ClN3S2/c9-5-2-1-3-6(4-5)11-8(14)12-7(10)13/h1-4H,(H4,10,11,12,13,14)
InChIKeyFDIKNRYNRWVINO-UHFFFAOYSA-N
MW245.76 g/mol
LogP1.87
Rot. Bonds1

About 1-carbamothioyl-3-(3-chlorophenyl)thiourea

1-carbamothioyl-3-(3-chlorophenyl)thiourea (PubChem CID 12932383) has the molecular formula C8H8ClN3S2 and a molecular weight of 245.76 g/mol. Its IUPAC name is 1-carbamothioyl-3-(3-chlorophenyl)thiourea.

Molecular Properties

Compound Name1-carbamothioyl-3-(3-chlorophenyl)thiourea
PubChem CID12932383
Molecular FormulaC8H8ClN3S2
Molecular Weight245.76 g/mol
Exact Mass244.98
IUPAC Name1-carbamothioyl-3-(3-chlorophenyl)thiourea
SMILESNC(=S)NC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C8H8ClN3S2/c9-5-2-1-3-6(4-5)11-8(14)12-7(10)13/h1-4H,(H4,10,11,12,13,14)
InChIKeyFDIKNRYNRWVINO-UHFFFAOYSA-N
XLogP1.87
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 51.87
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

(3-chlorophenyl)thiourea
CID 2734794
1-(3-chlorophenyl)-3-ethylthiourea
CID 872568
N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
azanium N-(3-chlorophenyl)carbamodithioate
CID 14386032
1-(3-chloro-4-methylphenyl)-3-(3-chlorophenyl)thiourea
CID 5017952
1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea
CID 19677525
N-[(3-chlorophenyl)carbamothioyl]-3,5-dimethoxybenzamide
CID 1344751
N-[(3-chlorophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 883458
1-(3-chloroanilino)-3-phenylthiourea
CID 57269014
1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
CID 976876
1-(3-chlorophenyl)-3-(2,2-dimethoxyethyl)thiourea
CID 881612
1-[2-[bis[2-[(3-chlorophenyl)carbamothioylamino]ethyl]amino]ethyl]-3-(3-chlorophenyl)thiourea
CID 102342442

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-3-(3-chlorophenyl)thiourea?
The IUPAC name of 1-carbamothioyl-3-(3-chlorophenyl)thiourea (CID 12932383) is 1-carbamothioyl-3-(3-chlorophenyl)thiourea.
What is the SMILES notation for 1-carbamothioyl-3-(3-chlorophenyl)thiourea?
The canonical SMILES for 1-carbamothioyl-3-(3-chlorophenyl)thiourea is NC(=S)NC(=S)Nc1cccc(Cl)c1.
What is the InChIKey of 1-carbamothioyl-3-(3-chlorophenyl)thiourea?
The InChIKey is FDIKNRYNRWVINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S2/c9-5-2-1-3-6(4-5)11-8(14)12-7(10)13/h1-4H,(H4,10,11,12,13,14).
What are the key properties of 1-carbamothioyl-3-(3-chlorophenyl)thiourea?
1-carbamothioyl-3-(3-chlorophenyl)thiourea has a molecular weight of 245.76 g/mol, XLogP of 1.87, 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-chlorophenyl)thiourea is sourced from PubChem (CID 12932383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).