(2-methylphenyl)thiourea

C8H10N2S — CID 2787703

IUPAC(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(N)=S
InChIInChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyACLZYRNSDLQOIA-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.65
Rot. Bonds1

About (2-methylphenyl)thiourea

(2-methylphenyl)thiourea (PubChem CID 2787703) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is (2-methylphenyl)thiourea.

Molecular Properties

Compound Name(2-methylphenyl)thiourea
PubChem CID2787703
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(N)=S
InChIInChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyACLZYRNSDLQOIA-UHFFFAOYSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.65
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

Phenylthiourea
CID 676454
Di-o-tolylguanidine
CID 7333
Diphenylthiourea
CID 700999
Alpha-Naphthylthiourea
CID 736366
Methyl-2-mercaptobenzimidazole
CID 3034478
2(1H)-Quinolinethione
CID 1800393
Thiourea, (3-methylphenyl)-
CID 701727
N-(4-Methylphenyl)urea
CID 12148
Thiobenzanilide
CID 668263
1-Methyl-3-phenylthiourea
CID 698294
3,4-Dihydro-4,4,6-trimethyl-1-(2-methylphenyl)-2(1H)-pyrimidinethione
CID 3034175
Methiuron
CID 3034319

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)thiourea?
The IUPAC name of (2-methylphenyl)thiourea (CID 2787703) is (2-methylphenyl)thiourea.
What is the SMILES notation for (2-methylphenyl)thiourea?
The canonical SMILES for (2-methylphenyl)thiourea is Cc1ccccc1NC(N)=S.
What is the InChIKey of (2-methylphenyl)thiourea?
The InChIKey is ACLZYRNSDLQOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11).
What are the key properties of (2-methylphenyl)thiourea?
(2-methylphenyl)thiourea has a molecular weight of 166.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)thiourea is sourced from PubChem (CID 2787703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).