thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid

C8H15F3N2O2S — CID 68662508

IUPACthian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid
SMILESNNCC1CCSCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2S.C2HF3O2/c7-8-5-6-1-3-9-4-2-6;3-2(4,5)1(6)7/h6,8H,1-5,7H2;(H,6,7)
InChIKeyWSBDAXXXIYEDKR-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.23
Rot. Bonds2

About thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid

thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid (PubChem CID 68662508) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namethian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid
PubChem CID68662508
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Namethian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid
SMILESNNCC1CCSCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2S.C2HF3O2/c7-8-5-6-1-3-9-4-2-6;3-2(4,5)1(6)7/h6,8H,1-5,7H2;(H,6,7)
InChIKeyWSBDAXXXIYEDKR-UHFFFAOYSA-N
XLogP1.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2,2,2-trifluoro-N-(thian-4-ylmethyl)acetamide
CID 115625197
cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
N-(thian-4-ylmethyl)acetamide
CID 91415666
2-[4-(hydrazinylmethyl)cyclohexyl]acetic acid;hydrochloride
CID 118342954
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101
3-(thian-4-yl)propanoic acid
CID 82411342
2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide
CID 113487601
5-(thian-4-ylmethylamino)pentanoic acid
CID 103264300
4-(hydrazinylmethyl)cyclohexane-1-carboxamide
CID 123819630
2,3-dimethyl-4-oxo-4-(thian-4-ylmethylcarbamoylamino)but-2-enoic acid
CID 104866087
(2S)-2-amino-3,3-dimethyl-N-(thian-4-ylmethyl)butanamide;hydrochloride
CID 119756562

Frequently Asked Questions

What is the IUPAC name of thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid (CID 68662508) is thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid is NNCC1CCSCC1.O=C(O)C(F)(F)F.
What is the InChIKey of thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid?
The InChIKey is WSBDAXXXIYEDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S.C2HF3O2/c7-8-5-6-1-3-9-4-2-6;3-2(4,5)1(6)7/h6,8H,1-5,7H2;(H,6,7).
What are the key properties of thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid?
thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid has a molecular weight of 260.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thian-4-ylmethylhydrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68662508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).