(1S)-2,3-dihydro-1,2-benzothiazole 1-oxide

C7H7NOS — CID 134955940

IUPAC(1S)-2,3-dihydro-1,2-benzothiazole 1-oxide
SMILESO=[S@@]1NCc2ccccc21
InChIInChI=1S/C7H7NOS/c9-10-7-4-2-1-3-6(7)5-8-10/h1-4,8H,5H2/t10-/m0/s1
InChIKeyRQRKIRVREVDLST-JTQLQIEISA-N
MW153.21 g/mol
LogP0.81
Rot. Bonds

About (1S)-2,3-dihydro-1,2-benzothiazole 1-oxide

(1S)-2,3-dihydro-1,2-benzothiazole 1-oxide (PubChem CID 134955940) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is (1S)-2,3-dihydro-1,2-benzothiazole 1-oxide.

Molecular Properties

Compound Name(1S)-2,3-dihydro-1,2-benzothiazole 1-oxide
PubChem CID134955940
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name(1S)-2,3-dihydro-1,2-benzothiazole 1-oxide
SMILESO=[S@@]1NCc2ccccc21
InChIInChI=1S/C7H7NOS/c9-10-7-4-2-1-3-6(7)5-8-10/h1-4,8H,5H2/t10-/m0/s1
InChIKeyRQRKIRVREVDLST-JTQLQIEISA-N
XLogP0.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,3-dihydro-1,2-benzothiazole 1-oxide?
The IUPAC name of (1S)-2,3-dihydro-1,2-benzothiazole 1-oxide (CID 134955940) is (1S)-2,3-dihydro-1,2-benzothiazole 1-oxide.
What is the SMILES notation for (1S)-2,3-dihydro-1,2-benzothiazole 1-oxide?
The canonical SMILES for (1S)-2,3-dihydro-1,2-benzothiazole 1-oxide is O=[S@@]1NCc2ccccc21.
What is the InChIKey of (1S)-2,3-dihydro-1,2-benzothiazole 1-oxide?
The InChIKey is RQRKIRVREVDLST-JTQLQIEISA-N. The full InChI is InChI=1S/C7H7NOS/c9-10-7-4-2-1-3-6(7)5-8-10/h1-4,8H,5H2/t10-/m0/s1.
What are the key properties of (1S)-2,3-dihydro-1,2-benzothiazole 1-oxide?
(1S)-2,3-dihydro-1,2-benzothiazole 1-oxide has a molecular weight of 153.21 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,3-dihydro-1,2-benzothiazole 1-oxide is sourced from PubChem (CID 134955940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).