[(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine

C12H13BrN2S3 — CID 105322532

IUPAC[(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2c(s1)CCSC2)c1cscc1Br
InChIInChI=1S/C12H13BrN2S3/c13-9-6-17-5-8(9)12(15-14)11-3-7-4-16-2-1-10(7)18-11/h3,5-6,12,15H,1-2,4,14H2
InChIKeyOZDXCFUEAYPKNF-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.91
Rot. Bonds3

About [(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine

[(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine (PubChem CID 105322532) has the molecular formula C12H13BrN2S3 and a molecular weight of 361.36 g/mol. Its IUPAC name is [(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
PubChem CID105322532
Molecular FormulaC12H13BrN2S3
Molecular Weight361.36 g/mol
Exact Mass359.94
IUPAC Name[(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2c(s1)CCSC2)c1cscc1Br
InChIInChI=1S/C12H13BrN2S3/c13-9-6-17-5-8(9)12(15-14)11-3-7-4-16-2-1-10(7)18-11/h3,5-6,12,15H,1-2,4,14H2
InChIKeyOZDXCFUEAYPKNF-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105010695
[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312835
[(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
CID 105342086
[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322322
1-(4-bromo-2,5-dimethylphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81266356
[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105305244
[(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
CID 107562677
1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81261725
N-[(2,5-dibromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
CID 81260634
[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297674
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 106764579
(4-bromothiophen-3-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 105010507

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine (CID 105322532) is [(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine is NNC(c1cc2c(s1)CCSC2)c1cscc1Br.
What is the InChIKey of [(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine?
The InChIKey is OZDXCFUEAYPKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S3/c13-9-6-17-5-8(9)12(15-14)11-3-7-4-16-2-1-10(7)18-11/h3,5-6,12,15H,1-2,4,14H2.
What are the key properties of [(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine?
[(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine has a molecular weight of 361.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105322532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).