6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol

C7H8N2S2 — CID 45487208

IUPAC6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol
SMILESNc1ccc2c(c1)SC(S)N2
InChIInChI=1S/C7H8N2S2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3,7,9-10H,8H2
InChIKeyWIAQCBUPOZWCAX-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.00
Rot. Bonds

About 6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol

6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol (PubChem CID 45487208) has the molecular formula C7H8N2S2 and a molecular weight of 184.29 g/mol. Its IUPAC name is 6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol.

Molecular Properties

Compound Name6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol
PubChem CID45487208
Molecular FormulaC7H8N2S2
Molecular Weight184.29 g/mol
Exact Mass184.01
IUPAC Name6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol
SMILESNc1ccc2c(c1)SC(S)N2
InChIInChI=1S/C7H8N2S2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3,7,9-10H,8H2
InChIKeyWIAQCBUPOZWCAX-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol?
The IUPAC name of 6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol (CID 45487208) is 6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol.
What is the SMILES notation for 6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol?
The canonical SMILES for 6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol is Nc1ccc2c(c1)SC(S)N2.
What is the InChIKey of 6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol?
The InChIKey is WIAQCBUPOZWCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3,7,9-10H,8H2.
What are the key properties of 6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol?
6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol has a molecular weight of 184.29 g/mol, XLogP of 2.00, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dihydro-1,3-benzothiazole-2-thiol is sourced from PubChem (CID 45487208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).