2H-thiochromene;urea

C10H12N2OS — CID 159036759

IUPAC2H-thiochromene;urea
SMILESC1=Cc2ccccc2SC1.NC(N)=O
InChIInChI=1S/C9H8S.CH4N2O/c1-2-6-9-8(4-1)5-3-7-10-9;2-1(3)4/h1-6H,7H2;(H4,2,3,4)
InChIKeyJVOAJKIOPHICSN-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.83
Rot. Bonds

About 2H-thiochromene;urea

2H-thiochromene;urea (PubChem CID 159036759) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2H-thiochromene;urea.

Molecular Properties

Compound Name2H-thiochromene;urea
PubChem CID159036759
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2H-thiochromene;urea
SMILESC1=Cc2ccccc2SC1.NC(N)=O
InChIInChI=1S/C9H8S.CH4N2O/c1-2-6-9-8(4-1)5-3-7-10-9;2-1(3)4/h1-6H,7H2;(H4,2,3,4)
InChIKeyJVOAJKIOPHICSN-UHFFFAOYSA-N
XLogP1.83
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-thiochromene;urea?
The IUPAC name of 2H-thiochromene;urea (CID 159036759) is 2H-thiochromene;urea.
What is the SMILES notation for 2H-thiochromene;urea?
The canonical SMILES for 2H-thiochromene;urea is C1=Cc2ccccc2SC1.NC(N)=O.
What is the InChIKey of 2H-thiochromene;urea?
The InChIKey is JVOAJKIOPHICSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S.CH4N2O/c1-2-6-9-8(4-1)5-3-7-10-9;2-1(3)4/h1-6H,7H2;(H4,2,3,4).
What are the key properties of 2H-thiochromene;urea?
2H-thiochromene;urea has a molecular weight of 208.29 g/mol, XLogP of 1.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiochromene;urea is sourced from PubChem (CID 159036759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).