2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate

C5H10N6S — CID 131001418

IUPAC2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SCc1nn[nH]n1
InChIInChI=1S/C5H10N6S/c1-6-5(7-2)12-3-4-8-10-11-9-4/h3H2,1-2H3,(H,6,7)(H,8,9,10,11)
InChIKeySKPNVDMHLGRUGP-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.36
Rot. Bonds2

About 2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate

2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate (PubChem CID 131001418) has the molecular formula C5H10N6S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate.

Molecular Properties

Compound Name2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate
PubChem CID131001418
Molecular FormulaC5H10N6S
Molecular Weight186.24 g/mol
Exact Mass186.07
IUPAC Name2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SCc1nn[nH]n1
InChIInChI=1S/C5H10N6S/c1-6-5(7-2)12-3-4-8-10-11-9-4/h3H2,1-2H3,(H,6,7)(H,8,9,10,11)
InChIKeySKPNVDMHLGRUGP-UHFFFAOYSA-N
XLogP-0.36
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate?
The IUPAC name of 2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate (CID 131001418) is 2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate.
What is the SMILES notation for 2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate?
The canonical SMILES for 2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate is C/N=C(\NC)SCc1nn[nH]n1.
What is the InChIKey of 2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate?
The InChIKey is SKPNVDMHLGRUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6S/c1-6-5(7-2)12-3-4-8-10-11-9-4/h3H2,1-2H3,(H,6,7)(H,8,9,10,11).
What are the key properties of 2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate?
2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate has a molecular weight of 186.24 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-tetrazol-5-ylmethyl N,N'-dimethylcarbamimidothioate is sourced from PubChem (CID 131001418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).