3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol

C5H10N4OS — CID 43388613

IUPAC3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
SMILESCn1nnnc1SCCCO
InChIInChI=1S/C5H10N4OS/c1-9-5(6-7-8-9)11-4-2-3-10/h10H,2-4H2,1H3
InChIKeyBPYYHHIAGDQUSU-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.32
Rot. Bonds4

About 3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol

3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol (PubChem CID 43388613) has the molecular formula C5H10N4OS and a molecular weight of 174.23 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
PubChem CID43388613
Molecular FormulaC5H10N4OS
Molecular Weight174.23 g/mol
Exact Mass174.06
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
SMILESCn1nnnc1SCCCO
InChIInChI=1S/C5H10N4OS/c1-9-5(6-7-8-9)11-4-2-3-10/h10H,2-4H2,1H3
InChIKeyBPYYHHIAGDQUSU-UHFFFAOYSA-N
XLogP-0.32
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(1-methyltetrazol-5-yl)sulfanylhexan-2-one
CID 43794005
N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 44665530
N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide
CID 43187652
methyl 4-(1-methyltetrazol-5-yl)sulfanylbutanoate
CID 13091621
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
4-(1-methyltetrazol-5-yl)sulfanylbutylthiourea
CID 163707173
4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine
CID 3061975
4-(1-methyltetrazol-5-yl)sulfanyl-1-phenylbutan-1-one
CID 13091625
[[4-(1-methyltetrazol-5-yl)sulfanylbutylamino]-phosphonomethyl]phosphonic acid
CID 139621159
1-(4-hydroxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutan-1-one
CID 13091639
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]-1-methyltetrazole
CID 47115035

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol (CID 43388613) is 3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol is Cn1nnnc1SCCCO.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol?
The InChIKey is BPYYHHIAGDQUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4OS/c1-9-5(6-7-8-9)11-4-2-3-10/h10H,2-4H2,1H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol?
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol has a molecular weight of 174.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 43388613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).