(5-chloro-2-methoxyphenyl)thiourea

C8H9ClN2OS — CID 2732660

IUPAC(5-chloro-2-methoxyphenyl)thiourea
SMILESCOc1ccc(Cl)cc1NC(N)=S
InChIInChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13)
InChIKeySEMNHAXMORNHNR-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.00
Rot. Bonds2

About (5-chloro-2-methoxyphenyl)thiourea

(5-chloro-2-methoxyphenyl)thiourea (PubChem CID 2732660) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)thiourea
PubChem CID2732660
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name(5-chloro-2-methoxyphenyl)thiourea
SMILESCOc1ccc(Cl)cc1NC(N)=S
InChIInChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13)
InChIKeySEMNHAXMORNHNR-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.00
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

5-Chloro-2-mercaptobenzoxazole
CID 708870
N-(o-Methoxyphenyl)thiourea
CID 722774
5-Chloro-2-methoxyaniline
CID 66763
Benzenamine, 5-chloro-2-methoxy-, hydrochloride
CID 77957
N-(2-Ethoxyphenyl)thiourea
CID 2758773
[2-(Trifluoromethoxy)phenyl]thiourea
CID 2732749
1-(4-Chlorobenzyl)-3-(2-methoxyphenyl)thiourea
CID 797087
1-(5-Chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea
CID 970967
1-(5-Chloro-2-methoxyphenyl)-3-cyclopentylthiourea
CID 972567
N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide
CID 1294827
1-(5-Chloro-2-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 1940210
1-(5-Chloro-2-methoxyphenyl)-3-(3-methylbutanoylamino)thiourea
CID 1952210

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)thiourea?
The IUPAC name of (5-chloro-2-methoxyphenyl)thiourea (CID 2732660) is (5-chloro-2-methoxyphenyl)thiourea.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)thiourea?
The canonical SMILES for (5-chloro-2-methoxyphenyl)thiourea is COc1ccc(Cl)cc1NC(N)=S.
What is the InChIKey of (5-chloro-2-methoxyphenyl)thiourea?
The InChIKey is SEMNHAXMORNHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13).
What are the key properties of (5-chloro-2-methoxyphenyl)thiourea?
(5-chloro-2-methoxyphenyl)thiourea has a molecular weight of 216.69 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)thiourea is sourced from PubChem (CID 2732660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).