trimethyl(2H-tetrazol-5-yl)-λ4-sulfane

C4H10N4S — CID 123995819

IUPACtrimethyl(2H-tetrazol-5-yl)-λ4-sulfane
SMILESCS(C)(C)c1nn[nH]n1
InChIInChI=1S/C4H10N4S/c1-9(2,3)4-5-7-8-6-4/h1-3H3,(H,5,6,7,8)
InChIKeyQZZHKSLAOMTUQQ-UHFFFAOYSA-N
MW146.22 g/mol
LogP0.25
Rot. Bonds1

About trimethyl(2H-tetrazol-5-yl)-λ4-sulfane

trimethyl(2H-tetrazol-5-yl)-λ4-sulfane (PubChem CID 123995819) has the molecular formula C4H10N4S and a molecular weight of 146.22 g/mol. Its IUPAC name is trimethyl(2H-tetrazol-5-yl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl(2H-tetrazol-5-yl)-λ4-sulfane
PubChem CID123995819
Molecular FormulaC4H10N4S
Molecular Weight146.22 g/mol
Exact Mass146.06
IUPAC Nametrimethyl(2H-tetrazol-5-yl)-λ4-sulfane
SMILESCS(C)(C)c1nn[nH]n1
InChIInChI=1S/C4H10N4S/c1-9(2,3)4-5-7-8-6-4/h1-3H3,(H,5,6,7,8)
InChIKeyQZZHKSLAOMTUQQ-UHFFFAOYSA-N
XLogP0.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2H-tetrazol-5-ylsulfonyl)-2H-tetrazole
CID 87453730
5-(difluoromethylsulfonyl)-2H-tetrazole
CID 146170152
5-(benzenesulfonyl)-2H-tetrazole
CID 15323576
5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole
CID 14591043
methanamine;5-methyl-2H-tetrazole
CID 162293320
bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate
CID 162299493
5-[(2-methylpropan-2-yl)oxy]-2H-tetrazole
CID 59000184
N-methyl-N-(2H-tetrazol-5-yl)-2H-tetrazol-5-amine
CID 91335410
CID 174337879
CID 174337879
N-(2-methylpropyl)-2H-tetrazol-5-amine
CID 82667932
O-[2-(2H-tetrazol-5-yl)propan-2-yl]hydroxylamine
CID 154283782
bis(2H-tetrazol-5-yl)azanide
CID 136738403

Frequently Asked Questions

What is the IUPAC name of trimethyl(2H-tetrazol-5-yl)-λ4-sulfane?
The IUPAC name of trimethyl(2H-tetrazol-5-yl)-λ4-sulfane (CID 123995819) is trimethyl(2H-tetrazol-5-yl)-λ4-sulfane.
What is the SMILES notation for trimethyl(2H-tetrazol-5-yl)-λ4-sulfane?
The canonical SMILES for trimethyl(2H-tetrazol-5-yl)-λ4-sulfane is CS(C)(C)c1nn[nH]n1.
What is the InChIKey of trimethyl(2H-tetrazol-5-yl)-λ4-sulfane?
The InChIKey is QZZHKSLAOMTUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4S/c1-9(2,3)4-5-7-8-6-4/h1-3H3,(H,5,6,7,8).
What are the key properties of trimethyl(2H-tetrazol-5-yl)-λ4-sulfane?
trimethyl(2H-tetrazol-5-yl)-λ4-sulfane has a molecular weight of 146.22 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2H-tetrazol-5-yl)-λ4-sulfane is sourced from PubChem (CID 123995819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).