S-(5-chlorothiophen-2-yl)thiohydroxylamine

C4H4ClNS2 — CID 88928706

IUPACS-(5-chlorothiophen-2-yl)thiohydroxylamine
SMILESNSc1ccc(Cl)s1
InChIInChI=1S/C4H4ClNS2/c5-3-1-2-4(7-3)8-6/h1-2H,6H2
InChIKeySPXMGKUKGXIQPA-UHFFFAOYSA-N
MW165.67 g/mol
LogP2.37
Rot. Bonds1

About S-(5-chlorothiophen-2-yl)thiohydroxylamine

S-(5-chlorothiophen-2-yl)thiohydroxylamine (PubChem CID 88928706) has the molecular formula C4H4ClNS2 and a molecular weight of 165.67 g/mol. Its IUPAC name is S-(5-chlorothiophen-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(5-chlorothiophen-2-yl)thiohydroxylamine
PubChem CID88928706
Molecular FormulaC4H4ClNS2
Molecular Weight165.67 g/mol
Exact Mass164.95
IUPAC NameS-(5-chlorothiophen-2-yl)thiohydroxylamine
SMILESNSc1ccc(Cl)s1
InChIInChI=1S/C4H4ClNS2/c5-3-1-2-4(7-3)8-6/h1-2H,6H2
InChIKeySPXMGKUKGXIQPA-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-ethylsulfanylthiophene
CID 55269590
2-chloro-5-(ethyldisulfanyl)thiophene
CID 91117303
N-(5-chlorothiophen-2-yl)sulfanylformamide
CID 142210368
3-(5-chlorothiophen-2-yl)sulfanylaniline
CID 117033124
3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine
CID 117032666
S-(5-ethylthiophen-2-yl)thiohydroxylamine
CID 142237566
ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate
CID 11715914
2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol
CID 116852280
[3-(5-chlorothiophen-2-yl)sulfanyloxetan-3-yl]methanamine
CID 117035303
4-(5-chlorothiophen-2-yl)sulfanylpiperidin-1-ium chloride
CID 110185823
methyl 2-(5-chlorothiophen-2-yl)sulfanylbutanoate
CID 117035553
3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine
CID 117032644

Frequently Asked Questions

What is the IUPAC name of S-(5-chlorothiophen-2-yl)thiohydroxylamine?
The IUPAC name of S-(5-chlorothiophen-2-yl)thiohydroxylamine (CID 88928706) is S-(5-chlorothiophen-2-yl)thiohydroxylamine.
What is the SMILES notation for S-(5-chlorothiophen-2-yl)thiohydroxylamine?
The canonical SMILES for S-(5-chlorothiophen-2-yl)thiohydroxylamine is NSc1ccc(Cl)s1.
What is the InChIKey of S-(5-chlorothiophen-2-yl)thiohydroxylamine?
The InChIKey is SPXMGKUKGXIQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNS2/c5-3-1-2-4(7-3)8-6/h1-2H,6H2.
What are the key properties of S-(5-chlorothiophen-2-yl)thiohydroxylamine?
S-(5-chlorothiophen-2-yl)thiohydroxylamine has a molecular weight of 165.67 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(5-chlorothiophen-2-yl)thiohydroxylamine is sourced from PubChem (CID 88928706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).