(4-chloro-2-methylanilino)thiourea

C8H10ClN3S — CID 2826085

IUPAC(4-chloro-2-methylanilino)thiourea
SMILESCc1cc(Cl)ccc1NNC(N)=S
InChIInChI=1S/C8H10ClN3S/c1-5-4-6(9)2-3-7(5)11-12-8(10)13/h2-4,11H,1H3,(H3,10,12,13)
InChIKeyUKIGFCKGSAOYRH-UHFFFAOYSA-N
MW215.71 g/mol
LogP1.81
Rot. Bonds2

About (4-chloro-2-methylanilino)thiourea

(4-chloro-2-methylanilino)thiourea (PubChem CID 2826085) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is (4-chloro-2-methylanilino)thiourea.

Molecular Properties

Compound Name(4-chloro-2-methylanilino)thiourea
PubChem CID2826085
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name(4-chloro-2-methylanilino)thiourea
SMILESCc1cc(Cl)ccc1NNC(N)=S
InChIInChI=1S/C8H10ClN3S/c1-5-4-6(9)2-3-7(5)11-12-8(10)13/h2-4,11H,1H3,(H3,10,12,13)
InChIKeyUKIGFCKGSAOYRH-UHFFFAOYSA-N
XLogP1.81
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylanilino)thiourea?
The IUPAC name of (4-chloro-2-methylanilino)thiourea (CID 2826085) is (4-chloro-2-methylanilino)thiourea.
What is the SMILES notation for (4-chloro-2-methylanilino)thiourea?
The canonical SMILES for (4-chloro-2-methylanilino)thiourea is Cc1cc(Cl)ccc1NNC(N)=S.
What is the InChIKey of (4-chloro-2-methylanilino)thiourea?
The InChIKey is UKIGFCKGSAOYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c1-5-4-6(9)2-3-7(5)11-12-8(10)13/h2-4,11H,1H3,(H3,10,12,13).
What are the key properties of (4-chloro-2-methylanilino)thiourea?
(4-chloro-2-methylanilino)thiourea has a molecular weight of 215.71 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylanilino)thiourea is sourced from PubChem (CID 2826085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).