(4-methylthiophen-3-yl)urea

C6H8N2OS — CID 130928213

IUPAC(4-methylthiophen-3-yl)urea
SMILESCc1cscc1NC(N)=O
InChIInChI=1S/C6H8N2OS/c1-4-2-10-3-5(4)8-6(7)9/h2-3H,1H3,(H3,7,8,9)
InChIKeyZUKWRPLIRGSJQJ-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.55
Rot. Bonds1

About (4-methylthiophen-3-yl)urea

(4-methylthiophen-3-yl)urea (PubChem CID 130928213) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)urea.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)urea
PubChem CID130928213
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name(4-methylthiophen-3-yl)urea
SMILESCc1cscc1NC(N)=O
InChIInChI=1S/C6H8N2OS/c1-4-2-10-3-5(4)8-6(7)9/h2-3H,1H3,(H3,7,8,9)
InChIKeyZUKWRPLIRGSJQJ-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)urea?
The IUPAC name of (4-methylthiophen-3-yl)urea (CID 130928213) is (4-methylthiophen-3-yl)urea.
What is the SMILES notation for (4-methylthiophen-3-yl)urea?
The canonical SMILES for (4-methylthiophen-3-yl)urea is Cc1cscc1NC(N)=O.
What is the InChIKey of (4-methylthiophen-3-yl)urea?
The InChIKey is ZUKWRPLIRGSJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4-2-10-3-5(4)8-6(7)9/h2-3H,1H3,(H3,7,8,9).
What are the key properties of (4-methylthiophen-3-yl)urea?
(4-methylthiophen-3-yl)urea has a molecular weight of 156.21 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)urea is sourced from PubChem (CID 130928213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).