(3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol

C7H14N4OS — CID 89109503

IUPAC(3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol
SMILESC[C@@H](CSc1nn[nH]n1)C(C)(C)O
InChIInChI=1S/C7H14N4OS/c1-5(7(2,3)12)4-13-6-8-10-11-9-6/h5,12H,4H2,1-3H3,(H,8,9,10,11)/t5-/m0/s1
InChIKeyHCAFIXFSRSZPJR-YFKPBYRVSA-N
MW202.28 g/mol
LogP0.70
Rot. Bonds4

About (3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol

(3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol (PubChem CID 89109503) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol
PubChem CID89109503
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name(3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol
SMILESC[C@@H](CSc1nn[nH]n1)C(C)(C)O
InChIInChI=1S/C7H14N4OS/c1-5(7(2,3)12)4-13-6-8-10-11-9-6/h5,12H,4H2,1-3H3,(H,8,9,10,11)/t5-/m0/s1
InChIKeyHCAFIXFSRSZPJR-YFKPBYRVSA-N
XLogP0.70
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole
CID 54214977
2-methyl-3-(2H-tetrazol-5-ylmethylamino)butan-2-ol
CID 65337419
benzhydryl 2-(2H-tetrazol-5-ylsulfanyl)acetate
CID 88677143
1-(2H-tetrazol-5-ylmethylsulfanyl)propan-2-amine
CID 130589903
4-[2-(2H-tetrazol-5-ylsulfanyl)ethoxy]benzoic acid
CID 28916149
N-[1-(2H-tetrazol-5-ylsulfanyl)prop-2-enyl]acetamide
CID 88805352
1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole
CID 102131559
(5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-(2H-tetrazol-5-ylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 88648526
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
2-methyl-3-[3-(2H-tetrazol-5-yl)anilino]butan-2-ol
CID 65338140
N-(2-methylpropyl)-2H-tetrazol-5-amine
CID 82667932
5-(2-ethenylphenyl)sulfanyl-2H-tetrazole
CID 88797674

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol?
The IUPAC name of (3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol (CID 89109503) is (3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol.
What is the SMILES notation for (3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol?
The canonical SMILES for (3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol is C[C@@H](CSc1nn[nH]n1)C(C)(C)O.
What is the InChIKey of (3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol?
The InChIKey is HCAFIXFSRSZPJR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-5(7(2,3)12)4-13-6-8-10-11-9-6/h5,12H,4H2,1-3H3,(H,8,9,10,11)/t5-/m0/s1.
What are the key properties of (3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol?
(3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol has a molecular weight of 202.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol is sourced from PubChem (CID 89109503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).