S-(1-phenyltetrazol-5-yl)thiohydroxylamine

C7H7N5S — CID 170760951

IUPACS-(1-phenyltetrazol-5-yl)thiohydroxylamine
SMILESNSc1nnnn1-c1ccccc1
InChIInChI=1S/C7H7N5S/c8-13-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,8H2
InChIKeyVXILMHUIEWNFKC-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.63
Rot. Bonds2

About S-(1-phenyltetrazol-5-yl)thiohydroxylamine

S-(1-phenyltetrazol-5-yl)thiohydroxylamine (PubChem CID 170760951) has the molecular formula C7H7N5S and a molecular weight of 193.24 g/mol. Its IUPAC name is S-(1-phenyltetrazol-5-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1-phenyltetrazol-5-yl)thiohydroxylamine
PubChem CID170760951
Molecular FormulaC7H7N5S
Molecular Weight193.24 g/mol
Exact Mass193.04
IUPAC NameS-(1-phenyltetrazol-5-yl)thiohydroxylamine
SMILESNSc1nnnn1-c1ccccc1
InChIInChI=1S/C7H7N5S/c8-13-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,8H2
InChIKeyVXILMHUIEWNFKC-UHFFFAOYSA-N
XLogP0.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1-phenyltetrazol-5-yl)sulfanylcarbamic acid
CID 19435783
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
CID 62685186
4-(1-phenyltetrazol-5-yl)sulfanylbut-2-en-1-amine
CID 77110853
3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 43753027
carbonic acid;(1-phenyltetrazol-5-yl)sulfanylmethanethioic S-acid
CID 159162962
4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 27309581
2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 116798178
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
3-fluoro-4-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 28972796
4-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]aniline
CID 43519808
3-chloro-4-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 594148

Frequently Asked Questions

What is the IUPAC name of S-(1-phenyltetrazol-5-yl)thiohydroxylamine?
The IUPAC name of S-(1-phenyltetrazol-5-yl)thiohydroxylamine (CID 170760951) is S-(1-phenyltetrazol-5-yl)thiohydroxylamine.
What is the SMILES notation for S-(1-phenyltetrazol-5-yl)thiohydroxylamine?
The canonical SMILES for S-(1-phenyltetrazol-5-yl)thiohydroxylamine is NSc1nnnn1-c1ccccc1.
What is the InChIKey of S-(1-phenyltetrazol-5-yl)thiohydroxylamine?
The InChIKey is VXILMHUIEWNFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S/c8-13-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,8H2.
What are the key properties of S-(1-phenyltetrazol-5-yl)thiohydroxylamine?
S-(1-phenyltetrazol-5-yl)thiohydroxylamine has a molecular weight of 193.24 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1-phenyltetrazol-5-yl)thiohydroxylamine is sourced from PubChem (CID 170760951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).