S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine

C5H7ClN2S2 — CID 130241438

IUPACS-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine
SMILESNSNCc1ccsc1Cl
InChIInChI=1S/C5H7ClN2S2/c6-5-4(1-2-9-5)3-8-10-7/h1-2,8H,3,7H2
InChIKeyMZNDNUFLTNXPED-UHFFFAOYSA-N
MW194.71 g/mol
LogP2.01
Rot. Bonds3

About S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine

S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine (PubChem CID 130241438) has the molecular formula C5H7ClN2S2 and a molecular weight of 194.71 g/mol. Its IUPAC name is S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine.

Molecular Properties

Compound NameS-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine
PubChem CID130241438
Molecular FormulaC5H7ClN2S2
Molecular Weight194.71 g/mol
Exact Mass193.97
IUPAC NameS-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine
SMILESNSNCc1ccsc1Cl
InChIInChI=1S/C5H7ClN2S2/c6-5-4(1-2-9-5)3-8-10-7/h1-2,8H,3,7H2
InChIKeyMZNDNUFLTNXPED-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine?
The IUPAC name of S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine (CID 130241438) is S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine.
What is the SMILES notation for S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine?
The canonical SMILES for S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine is NSNCc1ccsc1Cl.
What is the InChIKey of S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine?
The InChIKey is MZNDNUFLTNXPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S2/c6-5-4(1-2-9-5)3-8-10-7/h1-2,8H,3,7H2.
What are the key properties of S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine?
S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine has a molecular weight of 194.71 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2-chlorothiophen-3-yl)methylamino]thiohydroxylamine is sourced from PubChem (CID 130241438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).