(5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium

C15H17ClN5S2+ — CID 9171392

IUPAC(5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium
SMILESCC[NH+](Cc1ccc(Cl)s1)Cn1nnn(-c2ccccc2)c1=S
InChIInChI=1S/C15H16ClN5S2/c1-2-19(10-13-8-9-14(16)23-13)11-20-15(22)21(18-17-20)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3/p+1
InChIKeyJMZZZMGHEXDILT-UHFFFAOYSA-O
MW366.92 g/mol
LogP2.58
Rot. Bonds6

About (5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium

(5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium (PubChem CID 9171392) has the molecular formula C15H17ClN5S2+ and a molecular weight of 366.92 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium
PubChem CID9171392
Molecular FormulaC15H17ClN5S2+
Molecular Weight366.92 g/mol
Exact Mass366.06
IUPAC Name(5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium
SMILESCC[NH+](Cc1ccc(Cl)s1)Cn1nnn(-c2ccccc2)c1=S
InChIInChI=1S/C15H16ClN5S2/c1-2-19(10-13-8-9-14(16)23-13)11-20-15(22)21(18-17-20)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3/p+1
InChIKeyJMZZZMGHEXDILT-UHFFFAOYSA-O
XLogP2.58
TPSA40.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.92
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-chlorothiophen-2-yl)methyl-ethyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]azanium
CID 9171413
benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium
CID 9243081
1-benzyl-4-(4-chlorophenyl)tetrazole-5-thione
CID 71397789
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
CID 51140263
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106575438
(5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
CID 9171711
(5-chlorothiophen-2-yl)methyl-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium
CID 9236777
(4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
CID 7911362
(5-chlorothiophen-2-yl)methyl-ethyl-[[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9171444
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55757404
(5-chlorothiophen-2-yl)methyl-methyl-[(3-sulfanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)methyl]azanium
CID 9171782
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenyltetrazole-5-thione
CID 9325295

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium (CID 9171392) is (5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium is CC[NH+](Cc1ccc(Cl)s1)Cn1nnn(-c2ccccc2)c1=S.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium?
The InChIKey is JMZZZMGHEXDILT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16ClN5S2/c1-2-19(10-13-8-9-14(16)23-13)11-20-15(22)21(18-17-20)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3/p+1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium?
(5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium has a molecular weight of 366.92 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium is sourced from PubChem (CID 9171392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).