carbamothioic S-acid;1H-pyrazole

C4H7N3OS — CID 19839465

IUPACcarbamothioic S-acid;1H-pyrazole
SMILESNC(=O)S.c1cn[nH]c1
InChIInChI=1S/C3H4N2.CH3NOS/c1-2-4-5-3-1;2-1(3)4/h1-3H,(H,4,5);(H3,2,3,4)
InChIKeyRRHQFXWXGCLQHN-UHFFFAOYSA-N
MW145.19 g/mol
LogP0.40
Rot. Bonds

About carbamothioic S-acid;1H-pyrazole

carbamothioic S-acid;1H-pyrazole (PubChem CID 19839465) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is carbamothioic S-acid;1H-pyrazole.

Molecular Properties

Compound Namecarbamothioic S-acid;1H-pyrazole
PubChem CID19839465
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Namecarbamothioic S-acid;1H-pyrazole
SMILESNC(=O)S.c1cn[nH]c1
InChIInChI=1S/C3H4N2.CH3NOS/c1-2-4-5-3-1;2-1(3)4/h1-3H,(H,4,5);(H3,2,3,4)
InChIKeyRRHQFXWXGCLQHN-UHFFFAOYSA-N
XLogP0.40
TPSA71.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze carbamothioic S-acid;1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazole
CID 1048
1H-Pyrazole, hydrochloride (1:1)
CID 190350
Pyrazolium
CID 3416953
Pyrazole-d4
CID 71309634
Pyrazolium chloride
CID 67909939
1-Deuteriopyrazole
CID 12262518
4-Deuteropyrazole
CID 13971148
1-Ureidopyrazole
CID 19911942
Pyrazole carbamate
CID 21692575
Pyrazolium iodide
CID 22156316
Sulfuric acid--1H-pyrazole (1/1)
CID 22222819
Pyrazole dihydrochloride
CID 22222828

Frequently Asked Questions

What is the IUPAC name of carbamothioic S-acid;1H-pyrazole?
The IUPAC name of carbamothioic S-acid;1H-pyrazole (CID 19839465) is carbamothioic S-acid;1H-pyrazole.
What is the SMILES notation for carbamothioic S-acid;1H-pyrazole?
The canonical SMILES for carbamothioic S-acid;1H-pyrazole is NC(=O)S.c1cn[nH]c1.
What is the InChIKey of carbamothioic S-acid;1H-pyrazole?
The InChIKey is RRHQFXWXGCLQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH3NOS/c1-2-4-5-3-1;2-1(3)4/h1-3H,(H,4,5);(H3,2,3,4).
What are the key properties of carbamothioic S-acid;1H-pyrazole?
carbamothioic S-acid;1H-pyrazole has a molecular weight of 145.19 g/mol, XLogP of 0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioic S-acid;1H-pyrazole is sourced from PubChem (CID 19839465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).