(2,3-dimethylphenyl)sulfanylurea

C9H12N2OS — CID 175360096

IUPAC(2,3-dimethylphenyl)sulfanylurea
SMILESCc1cccc(SNC(N)=O)c1C
InChIInChI=1S/C9H12N2OS/c1-6-4-3-5-8(7(6)2)13-11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChIKeyZQIMBLXHNYNMNY-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.98
Rot. Bonds2

About (2,3-dimethylphenyl)sulfanylurea

(2,3-dimethylphenyl)sulfanylurea (PubChem CID 175360096) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is (2,3-dimethylphenyl)sulfanylurea.

Molecular Properties

Compound Name(2,3-dimethylphenyl)sulfanylurea
PubChem CID175360096
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name(2,3-dimethylphenyl)sulfanylurea
SMILESCc1cccc(SNC(N)=O)c1C
InChIInChI=1S/C9H12N2OS/c1-6-4-3-5-8(7(6)2)13-11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChIKeyZQIMBLXHNYNMNY-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)sulfanylurea?
The IUPAC name of (2,3-dimethylphenyl)sulfanylurea (CID 175360096) is (2,3-dimethylphenyl)sulfanylurea.
What is the SMILES notation for (2,3-dimethylphenyl)sulfanylurea?
The canonical SMILES for (2,3-dimethylphenyl)sulfanylurea is Cc1cccc(SNC(N)=O)c1C.
What is the InChIKey of (2,3-dimethylphenyl)sulfanylurea?
The InChIKey is ZQIMBLXHNYNMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-4-3-5-8(7(6)2)13-11-9(10)12/h3-5H,1-2H3,(H3,10,11,12).
What are the key properties of (2,3-dimethylphenyl)sulfanylurea?
(2,3-dimethylphenyl)sulfanylurea has a molecular weight of 196.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)sulfanylurea is sourced from PubChem (CID 175360096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).