(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine

C12H10N4S2 — CID 103336515

IUPAC(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
SMILESNNc1nc(Sc2ccccc2)c2ccsc2n1
InChIInChI=1S/C12H10N4S2/c13-16-12-14-10-9(6-7-17-10)11(15-12)18-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15,16)
InChIKeyHYSHXAAXBIDGBU-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.13
Rot. Bonds3

About (4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine

(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine (PubChem CID 103336515) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
PubChem CID103336515
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC Name(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
SMILESNNc1nc(Sc2ccccc2)c2ccsc2n1
InChIInChI=1S/C12H10N4S2/c13-16-12-14-10-9(6-7-17-10)11(15-12)18-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15,16)
InChIKeyHYSHXAAXBIDGBU-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336586
(4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336570
[4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336539
[4-(2-methylfuran-3-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107785418
[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336692
4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335232
N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288
[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107766413
[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336615
N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334534
4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103334616
4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335037

Frequently Asked Questions

What is the IUPAC name of (4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine?
The IUPAC name of (4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine (CID 103336515) is (4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine.
What is the SMILES notation for (4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine?
The canonical SMILES for (4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine is NNc1nc(Sc2ccccc2)c2ccsc2n1.
What is the InChIKey of (4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine?
The InChIKey is HYSHXAAXBIDGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c13-16-12-14-10-9(6-7-17-10)11(15-12)18-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15,16).
What are the key properties of (4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine?
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine has a molecular weight of 274.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine is sourced from PubChem (CID 103336515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).