2H-tetrazole-5-carbothioic S-acid

C2H2N4OS — CID 175821509

IUPAC2H-tetrazole-5-carbothioic S-acid
SMILESO=C(S)c1nn[nH]n1
InChIInChI=1S/C2H2N4OS/c7-2(8)1-3-5-6-4-1/h(H,7,8)(H,3,4,5,6)
InChIKeyULARSFZMNUFEKU-UHFFFAOYSA-N
MW130.13 g/mol
LogP-0.73
Rot. Bonds1

About 2H-tetrazole-5-carbothioic S-acid

2H-tetrazole-5-carbothioic S-acid (PubChem CID 175821509) has the molecular formula C2H2N4OS and a molecular weight of 130.13 g/mol. Its IUPAC name is 2H-tetrazole-5-carbothioic S-acid.

Molecular Properties

Compound Name2H-tetrazole-5-carbothioic S-acid
PubChem CID175821509
Molecular FormulaC2H2N4OS
Molecular Weight130.13 g/mol
Exact Mass129.99
IUPAC Name2H-tetrazole-5-carbothioic S-acid
SMILESO=C(S)c1nn[nH]n1
InChIInChI=1S/C2H2N4OS/c7-2(8)1-3-5-6-4-1/h(H,7,8)(H,3,4,5,6)
InChIKeyULARSFZMNUFEKU-UHFFFAOYSA-N
XLogP-0.73
TPSA71.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2H-tetrazol-5-yl)prop-2-enamide
CID 154333734
N-nitro-2H-tetrazole-5-carboxamide
CID 170844684
5-(1-diazoethyl)-2H-tetrazole
CID 11116050
2H-tetrazol-5-yloxymethanethioic S-acid
CID 174452682
ethyl 2H-tetrazole-5-carboxylate;molecular hydrogen
CID 155716466
2H-tetrazole;2H-tetrazole-5-carboxylic acid
CID 175789714
sodium [(E)-1-(2H-tetrazol-5-yl)ethylideneamino]azanide
CID 135437274
N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide
CID 107858481
3-azabicyclo[3.1.0]hexan-3-yl(2H-tetrazol-5-yl)methanone
CID 130935332
bis(2H-tetrazol-5-yl)azanide
CID 136738403
N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 107577373
furan-2-yl(2H-tetrazol-5-yl)methanone
CID 139864601

Frequently Asked Questions

What is the IUPAC name of 2H-tetrazole-5-carbothioic S-acid?
The IUPAC name of 2H-tetrazole-5-carbothioic S-acid (CID 175821509) is 2H-tetrazole-5-carbothioic S-acid.
What is the SMILES notation for 2H-tetrazole-5-carbothioic S-acid?
The canonical SMILES for 2H-tetrazole-5-carbothioic S-acid is O=C(S)c1nn[nH]n1.
What is the InChIKey of 2H-tetrazole-5-carbothioic S-acid?
The InChIKey is ULARSFZMNUFEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N4OS/c7-2(8)1-3-5-6-4-1/h(H,7,8)(H,3,4,5,6).
What are the key properties of 2H-tetrazole-5-carbothioic S-acid?
2H-tetrazole-5-carbothioic S-acid has a molecular weight of 130.13 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-tetrazole-5-carbothioic S-acid is sourced from PubChem (CID 175821509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).