thiophene-2-carbothioamide

C5H5NS2 — CID 737237

IUPACthiophene-2-carbothioamide
SMILESNC(=S)c1cccs1
InChIInChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
InChIKeyHDXYHAPUCGQOBX-UHFFFAOYSA-N
MW143.24 g/mol
LogP1.38
Rot. Bonds1

About thiophene-2-carbothioamide

thiophene-2-carbothioamide (PubChem CID 737237) has the molecular formula C5H5NS2 and a molecular weight of 143.24 g/mol. Its IUPAC name is thiophene-2-carbothioamide.

Molecular Properties

Compound Namethiophene-2-carbothioamide
PubChem CID737237
Molecular FormulaC5H5NS2
Molecular Weight143.24 g/mol
Exact Mass142.99
IUPAC Namethiophene-2-carbothioamide
SMILESNC(=S)c1cccs1
InChIInChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
InChIKeyHDXYHAPUCGQOBX-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiopheneethanamine
CID 116521
(2-Thienylmethyl)amine
CID 34005
1-(Thiophen-2-ylmethyl)guanidine
CID 4345279
1-(2-Thienyl)-1-aminoethane
CID 238233
N-Methyl-1-(thiophen-2-yl)methanamine
CID 436153
1-(Thiophen-2-yl)ethan-1-amine hydrochloride
CID 458573
3-Methylthiophene-2-carbothioamide
CID 2740365
Thiophene-2-carboximidamide
CID 2781760
(5-Methylthiophen-2-yl)methanamine
CID 4313442
2-(Thiophen-2-yl)propan-2-amine
CID 45099
(3-Methylthiophen-2-yl)methanamine
CID 2798756
2-(Isothiocyanatomethyl)thiophene
CID 4644184

Frequently Asked Questions

What is the IUPAC name of thiophene-2-carbothioamide?
The IUPAC name of thiophene-2-carbothioamide (CID 737237) is thiophene-2-carbothioamide.
What is the SMILES notation for thiophene-2-carbothioamide?
The canonical SMILES for thiophene-2-carbothioamide is NC(=S)c1cccs1.
What is the InChIKey of thiophene-2-carbothioamide?
The InChIKey is HDXYHAPUCGQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7).
What are the key properties of thiophene-2-carbothioamide?
thiophene-2-carbothioamide has a molecular weight of 143.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carbothioamide is sourced from PubChem (CID 737237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).