CID 59303743

C7H7NOS — CID 59303743

IUPAC—
SMILES[CH]C(=O)c1nc(C)c(C)s1
InChIInChI=1S/C7H7NOS/c1-4-6(3)10-7(8-4)5(2)9/h2H,1,3H3
InChIKeyBBYFQVVNPPFGGK-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.65
Rot. Bonds1

About CID 59303743

CID 59303743 (PubChem CID 59303743) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol.

Molecular Properties

Compound NameCID 59303743
PubChem CID59303743
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name—
SMILES[CH]C(=O)c1nc(C)c(C)s1
InChIInChI=1S/C7H7NOS/c1-4-6(3)10-7(8-4)5(2)9/h2H,1,3H3
InChIKeyBBYFQVVNPPFGGK-UHFFFAOYSA-N
XLogP1.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59303743?
The IUPAC name of CID 59303743 (CID 59303743) is not available.
What is the SMILES notation for CID 59303743?
The canonical SMILES for CID 59303743 is [CH]C(=O)c1nc(C)c(C)s1.
What is the InChIKey of CID 59303743?
The InChIKey is BBYFQVVNPPFGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-4-6(3)10-7(8-4)5(2)9/h2H,1,3H3.
What are the key properties of CID 59303743?
CID 59303743 has a molecular weight of 153.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303743 is sourced from PubChem (CID 59303743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).