(3-chlorophenyl)thiourea

C7H7ClN2S — CID 2734794

IUPAC(3-chlorophenyl)thiourea
SMILESNC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyLSYZRUOXXOTVAV-UHFFFAOYSA-N
MW186.67 g/mol
LogP2.00
Rot. Bonds1

About (3-chlorophenyl)thiourea

(3-chlorophenyl)thiourea (PubChem CID 2734794) has the molecular formula C7H7ClN2S and a molecular weight of 186.67 g/mol. Its IUPAC name is (3-chlorophenyl)thiourea.

Molecular Properties

Compound Name(3-chlorophenyl)thiourea
PubChem CID2734794
Molecular FormulaC7H7ClN2S
Molecular Weight186.67 g/mol
Exact Mass186.00
IUPAC Name(3-chlorophenyl)thiourea
SMILESNC(=S)Nc1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKeyLSYZRUOXXOTVAV-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.67
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-3-(3-chlorophenyl)thiourea
CID 12932383
azanium N-(3-chlorophenyl)carbamodithioate
CID 14386032
[3-chloro-4-(3-chlorophenoxy)phenyl]thiourea
CID 169357493
3-(3-chlorophenyl)-1,1-dimethylthiourea
CID 3667583
2-(3-chloroanilino)ethanethioamide
CID 82076448
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3-chlorophenyl)urea
CID 61122602
methyl N-(3-chlorophenyl)carbamate
CID 16529
1-(3-chlorophenyl)-3-ethylthiourea
CID 872568
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
(3-chlorophenyl)urea;1,2-xylene
CID 70502289
[3-(difluoromethyl)phenyl]thiourea
CID 118556287

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)thiourea?
The IUPAC name of (3-chlorophenyl)thiourea (CID 2734794) is (3-chlorophenyl)thiourea.
What is the SMILES notation for (3-chlorophenyl)thiourea?
The canonical SMILES for (3-chlorophenyl)thiourea is NC(=S)Nc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)thiourea?
The InChIKey is LSYZRUOXXOTVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11).
What are the key properties of (3-chlorophenyl)thiourea?
(3-chlorophenyl)thiourea has a molecular weight of 186.67 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)thiourea is sourced from PubChem (CID 2734794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).