4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline

C9H10ClN5S — CID 43350210

IUPAC4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline
SMILESCn1nnnc1SCc1cc(N)ccc1Cl
InChIInChI=1S/C9H10ClN5S/c1-15-9(12-13-14-15)16-5-6-4-7(11)2-3-8(6)10/h2-4H,5,11H2,1H3
InChIKeyRNORTKZHDUSZRT-UHFFFAOYSA-N
MW255.73 g/mol
LogP1.74
Rot. Bonds3

About 4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline

4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline (PubChem CID 43350210) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline
PubChem CID43350210
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline
SMILESCn1nnnc1SCc1cc(N)ccc1Cl
InChIInChI=1S/C9H10ClN5S/c1-15-9(12-13-14-15)16-5-6-4-7(11)2-3-8(6)10/h2-4H,5,11H2,1H3
InChIKeyRNORTKZHDUSZRT-UHFFFAOYSA-N
XLogP1.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 43376992
2-chloro-7-methyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinoline
CID 8005328
5-[(2,5-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 65317727
2-chloro-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 23502600
2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 79037574
2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 115460822
8-[(1-methyltetrazol-5-yl)sulfanylmethyl]quinolin-5-amine
CID 43376990
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882476
4-chloro-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]aniline
CID 106922285
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide
CID 63291341
4-chloro-3-(propylsulfanylmethyl)aniline
CID 43350236

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline?
The IUPAC name of 4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline (CID 43350210) is 4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline.
What is the SMILES notation for 4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline?
The canonical SMILES for 4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline is Cn1nnnc1SCc1cc(N)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline?
The InChIKey is RNORTKZHDUSZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-15-9(12-13-14-15)16-5-6-4-7(11)2-3-8(6)10/h2-4H,5,11H2,1H3.
What are the key properties of 4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline?
4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline has a molecular weight of 255.73 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline is sourced from PubChem (CID 43350210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).