(5-bromothiophen-2-yl)sulfanylmethanethiol

C5H5BrS3 — CID 117033712

IUPAC(5-bromothiophen-2-yl)sulfanylmethanethiol
SMILESSCSc1ccc(Br)s1
InChIInChI=1S/C5H5BrS3/c6-4-1-2-5(9-4)8-3-7/h1-2,7H,3H2
InChIKeyFXKCQVJBUGUSJF-UHFFFAOYSA-N
MW241.20 g/mol
LogP3.49
Rot. Bonds2

About (5-bromothiophen-2-yl)sulfanylmethanethiol

(5-bromothiophen-2-yl)sulfanylmethanethiol (PubChem CID 117033712) has the molecular formula C5H5BrS3 and a molecular weight of 241.20 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)sulfanylmethanethiol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)sulfanylmethanethiol
PubChem CID117033712
Molecular FormulaC5H5BrS3
Molecular Weight241.20 g/mol
Exact Mass239.87
IUPAC Name(5-bromothiophen-2-yl)sulfanylmethanethiol
SMILESSCSc1ccc(Br)s1
InChIInChI=1S/C5H5BrS3/c6-4-1-2-5(9-4)8-3-7/h1-2,7H,3H2
InChIKeyFXKCQVJBUGUSJF-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfanyl-5-bromothiophene
CID 121378629
2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine
CID 117032570
1-(5-bromothiophen-2-yl)sulfanylcyclopropan-1-amine
CID 117035870
[1-(5-bromothiophen-2-yl)sulfanylcyclobutyl]methanol
CID 117035043
N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline
CID 162732190
[5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]thiophen-2-yl] thiocyanate
CID 102299234
(5-bromothiophen-2-yl)-dimethyl-trimethylsilylsilane
CID 86164582
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
2-bromo-5-(1,1-difluoropropyl)thiophene
CID 116841242
2-(5-bromothiophen-2-yl)sulfanylmorpholine
CID 117034196
1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801859
2-[3-(5-bromothiophen-2-yl)oxetan-3-yl]ethanethiol
CID 116872542

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)sulfanylmethanethiol?
The IUPAC name of (5-bromothiophen-2-yl)sulfanylmethanethiol (CID 117033712) is (5-bromothiophen-2-yl)sulfanylmethanethiol.
What is the SMILES notation for (5-bromothiophen-2-yl)sulfanylmethanethiol?
The canonical SMILES for (5-bromothiophen-2-yl)sulfanylmethanethiol is SCSc1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)sulfanylmethanethiol?
The InChIKey is FXKCQVJBUGUSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrS3/c6-4-1-2-5(9-4)8-3-7/h1-2,7H,3H2.
What are the key properties of (5-bromothiophen-2-yl)sulfanylmethanethiol?
(5-bromothiophen-2-yl)sulfanylmethanethiol has a molecular weight of 241.20 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)sulfanylmethanethiol is sourced from PubChem (CID 117033712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).