2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid

C5H8N4O2S — CID 21482131

IUPAC2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid
SMILESCc1nnnn1CSCC(=O)O
InChIInChI=1S/C5H8N4O2S/c1-4-6-7-8-9(4)3-12-2-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyGHCVUICTKUSACM-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.24
Rot. Bonds4

About 2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid

2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid (PubChem CID 21482131) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid
PubChem CID21482131
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC Name2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid
SMILESCc1nnnn1CSCC(=O)O
InChIInChI=1S/C5H8N4O2S/c1-4-6-7-8-9(4)3-12-2-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyGHCVUICTKUSACM-UHFFFAOYSA-N
XLogP-0.24
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyltetrazol-1-yl)acetamide
CID 71946280
2-(5-methyltetrazol-1-yl)acetyl chloride
CID 165357102
3-(5-methyltetrazol-1-yl)propanoate
CID 7219833
methyl 3-(5-methyltetrazol-1-yl)propanoate
CID 59922425
N-methoxy-2-(5-methyltetrazol-1-yl)acetamide
CID 127012088
2-(5-methylsulfanyltetrazol-1-yl)acetic acid
CID 20670743
5-methyl-1-pentyltetrazole
CID 67274114
5-methyl-1-(3-methylbut-2-enyl)tetrazole
CID 130645043
1-(2-bromoprop-2-enyl)-5-methyltetrazole
CID 130619232
5-methyl-1-octyltetrazole
CID 20685309
3-[(1-ethyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 13208283
[(2S,3S)-2-[(5-methyltetrazol-1-yl)methyl]-4-oxoazetidin-3-yl]carbamic acid
CID 118475494

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid (CID 21482131) is 2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid is Cc1nnnn1CSCC(=O)O.
What is the InChIKey of 2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid?
The InChIKey is GHCVUICTKUSACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c1-4-6-7-8-9(4)3-12-2-5(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid?
2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid has a molecular weight of 188.21 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid is sourced from PubChem (CID 21482131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).