2,3-dihydro-1,3-benzothiazole;ethene

C9H11NS — CID 143195772

IUPAC2,3-dihydro-1,3-benzothiazole;ethene
SMILESC=C.c1ccc2c(c1)NCS2
InChIInChI=1S/C7H7NS.C2H4/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-4,8H,5H2;1-2H2
InChIKeyPGVCUSHGUZMQRK-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.96
Rot. Bonds

About 2,3-dihydro-1,3-benzothiazole;ethene

2,3-dihydro-1,3-benzothiazole;ethene (PubChem CID 143195772) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 2,3-dihydro-1,3-benzothiazole;ethene.

Molecular Properties

Compound Name2,3-dihydro-1,3-benzothiazole;ethene
PubChem CID143195772
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name2,3-dihydro-1,3-benzothiazole;ethene
SMILESC=C.c1ccc2c(c1)NCS2
InChIInChI=1S/C7H7NS.C2H4/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-4,8H,5H2;1-2H2
InChIKeyPGVCUSHGUZMQRK-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole
CID 69347207
1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole
CID 69163553
4,5,7,8-tetrahydro-1,3,6,8-benzotrithiazecine
CID 163183529
5-methyl-2,3-dihydro-1,3-benzothiazole
CID 22342374
3,25-dithia-10,18-diazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(31),4,6,8,12(32),13,15,19,21,23,27,29-dodecaene
CID 101109428
2-methylidene-5,6-dihydro-4H-1,3,6-benzodithiazocine
CID 89138477
5-ethyl-2,3-dihydro-1,3-benzothiazole
CID 89109120
2,3-dihydro-1,3-benzothiazol-6-ylmethylphosphane
CID 143467783
5-propan-2-yl-2,3-dihydro-1,3-benzothiazole
CID 146691583
3-ethyl-3-methyl-4,5-dihydro-2H-1,5-benzothiazepine
CID 143347469
ethane;N-methyl-2,3-dihydro-1,3-benzothiazol-6-amine
CID 143142470
1,3-benzodioxole;2,3-dihydro-1H-benzimidazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzothiazole;bis(2,3-dihydro-1,3-benzoxazole);ethane;1,2,3,4-tetrahydroquinoxaline
CID 159962116

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-benzothiazole;ethene?
The IUPAC name of 2,3-dihydro-1,3-benzothiazole;ethene (CID 143195772) is 2,3-dihydro-1,3-benzothiazole;ethene.
What is the SMILES notation for 2,3-dihydro-1,3-benzothiazole;ethene?
The canonical SMILES for 2,3-dihydro-1,3-benzothiazole;ethene is C=C.c1ccc2c(c1)NCS2.
What is the InChIKey of 2,3-dihydro-1,3-benzothiazole;ethene?
The InChIKey is PGVCUSHGUZMQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS.C2H4/c1-2-4-7-6(3-1)8-5-9-7;1-2/h1-4,8H,5H2;1-2H2.
What are the key properties of 2,3-dihydro-1,3-benzothiazole;ethene?
2,3-dihydro-1,3-benzothiazole;ethene has a molecular weight of 165.26 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-benzothiazole;ethene is sourced from PubChem (CID 143195772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).