(1-phenyltetrazol-5-yl)sulfanylcarbamic acid

C8H7N5O2S — CID 19435783

IUPAC(1-phenyltetrazol-5-yl)sulfanylcarbamic acid
SMILESO=C(O)NSc1nnnn1-c1ccccc1
InChIInChI=1S/C8H7N5O2S/c14-8(15)10-16-7-9-11-12-13(7)6-4-2-1-3-5-6/h1-5,10H,(H,14,15)
InChIKeyICBWPORYZWKIKJ-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.94
Rot. Bonds3

About (1-phenyltetrazol-5-yl)sulfanylcarbamic acid

(1-phenyltetrazol-5-yl)sulfanylcarbamic acid (PubChem CID 19435783) has the molecular formula C8H7N5O2S and a molecular weight of 237.24 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)sulfanylcarbamic acid.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)sulfanylcarbamic acid
PubChem CID19435783
Molecular FormulaC8H7N5O2S
Molecular Weight237.24 g/mol
Exact Mass237.03
IUPAC Name(1-phenyltetrazol-5-yl)sulfanylcarbamic acid
SMILESO=C(O)NSc1nnnn1-c1ccccc1
InChIInChI=1S/C8H7N5O2S/c14-8(15)10-16-7-9-11-12-13(7)6-4-2-1-3-5-6/h1-5,10H,(H,14,15)
InChIKeyICBWPORYZWKIKJ-UHFFFAOYSA-N
XLogP0.94
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
carbonic acid;(1-phenyltetrazol-5-yl)sulfanylmethanethioic S-acid
CID 159162962
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
2,2-difluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 81218371
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
ethyl 2-fluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetate
CID 79357235
(E)-4-hydroxy-3-(1-phenyltetrazol-5-yl)sulfanylpent-3-en-2-one
CID 6927307
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
N-(2,6-difluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 705223
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613

Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)sulfanylcarbamic acid?
The IUPAC name of (1-phenyltetrazol-5-yl)sulfanylcarbamic acid (CID 19435783) is (1-phenyltetrazol-5-yl)sulfanylcarbamic acid.
What is the SMILES notation for (1-phenyltetrazol-5-yl)sulfanylcarbamic acid?
The canonical SMILES for (1-phenyltetrazol-5-yl)sulfanylcarbamic acid is O=C(O)NSc1nnnn1-c1ccccc1.
What is the InChIKey of (1-phenyltetrazol-5-yl)sulfanylcarbamic acid?
The InChIKey is ICBWPORYZWKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S/c14-8(15)10-16-7-9-11-12-13(7)6-4-2-1-3-5-6/h1-5,10H,(H,14,15).
What are the key properties of (1-phenyltetrazol-5-yl)sulfanylcarbamic acid?
(1-phenyltetrazol-5-yl)sulfanylcarbamic acid has a molecular weight of 237.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)sulfanylcarbamic acid is sourced from PubChem (CID 19435783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).