(2-hydroxy-1-methylindol-3-yl)iminothiourea

C10H10N4OS — CID 667492

IUPAC(2-hydroxy-1-methylindol-3-yl)iminothiourea
SMILESCn1c(O)c(/N=N/C(N)=S)c2ccccc21
InChIInChI=1S/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5,15H,1H3,(H2,11,16)/b13-12+
InChIKeyTTZUCVNWOZLIGL-OUKQBFOZSA-N
MW234.28 g/mol
LogP2.21
Rot. Bonds1

About (2-hydroxy-1-methylindol-3-yl)iminothiourea

(2-hydroxy-1-methylindol-3-yl)iminothiourea (PubChem CID 667492) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is (2-hydroxy-1-methylindol-3-yl)iminothiourea.

Molecular Properties

Compound Name(2-hydroxy-1-methylindol-3-yl)iminothiourea
PubChem CID667492
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name(2-hydroxy-1-methylindol-3-yl)iminothiourea
SMILESCn1c(O)c(/N=N/C(N)=S)c2ccccc21
InChIInChI=1S/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5,15H,1H3,(H2,11,16)/b13-12+
InChIKeyTTZUCVNWOZLIGL-OUKQBFOZSA-N
XLogP2.21
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

CID 2767481
CID 2767481
CID 272989
CID 272989
CID 921636
CID 921636
CID 690109
CID 690109
CID 16906
CID 16906
CID 18631
CID 18631
CID 2386107
CID 2386107
CID 249068
CID 249068
CID 135857069
CID 135857069
CID 678592
CID 678592
CID 746034
CID 746034
CID 773026
CID 773026

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-methylindol-3-yl)iminothiourea?
The IUPAC name of (2-hydroxy-1-methylindol-3-yl)iminothiourea (CID 667492) is (2-hydroxy-1-methylindol-3-yl)iminothiourea.
What is the SMILES notation for (2-hydroxy-1-methylindol-3-yl)iminothiourea?
The canonical SMILES for (2-hydroxy-1-methylindol-3-yl)iminothiourea is Cn1c(O)c(/N=N/C(N)=S)c2ccccc21.
What is the InChIKey of (2-hydroxy-1-methylindol-3-yl)iminothiourea?
The InChIKey is TTZUCVNWOZLIGL-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5,15H,1H3,(H2,11,16)/b13-12+.
What are the key properties of (2-hydroxy-1-methylindol-3-yl)iminothiourea?
(2-hydroxy-1-methylindol-3-yl)iminothiourea has a molecular weight of 234.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-methylindol-3-yl)iminothiourea is sourced from PubChem (CID 667492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).