8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide

C12H9ClN2OS2 — CID 2739614

IUPAC8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide
SMILESNNC(=O)c1cc2c(s1)-c1cc(Cl)ccc1SC2
InChIInChI=1S/C12H9ClN2OS2/c13-7-1-2-9-8(4-7)11-6(5-17-9)3-10(18-11)12(16)15-14/h1-4H,5,14H2,(H,15,16)
InChIKeyDCGQQIIOAKCWOK-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.28
Rot. Bonds1

About 8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide

8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide (PubChem CID 2739614) has the molecular formula C12H9ClN2OS2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide.

Molecular Properties

Compound Name8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide
PubChem CID2739614
Molecular FormulaC12H9ClN2OS2
Molecular Weight296.80 g/mol
Exact Mass295.98
IUPAC Name8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide
SMILESNNC(=O)c1cc2c(s1)-c1cc(Cl)ccc1SC2
InChIInChI=1S/C12H9ClN2OS2/c13-7-1-2-9-8(4-7)11-6(5-17-9)3-10(18-11)12(16)15-14/h1-4H,5,14H2,(H,15,16)
InChIKeyDCGQQIIOAKCWOK-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide?
The IUPAC name of 8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide (CID 2739614) is 8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide.
What is the SMILES notation for 8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide?
The canonical SMILES for 8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide is NNC(=O)c1cc2c(s1)-c1cc(Cl)ccc1SC2.
What is the InChIKey of 8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide?
The InChIKey is DCGQQIIOAKCWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS2/c13-7-1-2-9-8(4-7)11-6(5-17-9)3-10(18-11)12(16)15-14/h1-4H,5,14H2,(H,15,16).
What are the key properties of 8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide?
8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide has a molecular weight of 296.80 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4H-thieno[3,2-c]thiochromene-2-carbohydrazide is sourced from PubChem (CID 2739614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).