Ethanethiol, 2-benzylamino-

HCID 136802
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Basic information

CAS
1007-54-1
Standard SMILES
SCCNCc1ccccc1
InChIKey
LDJADHZNGVTQJD-UHFFFAOYSA-N
Molecular formula
C9H13NS
Average molar mass
167.27 g/mol
Monoisotopic mass
167.07687059

Names & identifiers

Preferred name
Ethanethiol, 2-benzylamino-
IUPAC
2-(benzylamino)ethanethiol

Names & synonyms

Ethanethiol, 2-benzylamino-RefChem:10843942-(benzylamino)ethanethiol5978-34-7Ethanethiol, 2-benzylamino-,N-Benzyl-cysteaminN-benzyl-cysteamineNSC87570N-phenylmethylcysteamineSCHEMBL2315417SCHEMBL7792295LDJADHZNGVTQJD-UHFFFAOYSA-N
Show more names
NSC 39323NSC-87570

Database identifiers

CAS
1007-54-1、5978-34-7
PubChem CID
136802
Nikkaji
J2.752.272F

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
13 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
11

Related reactions

3 records
New reaction record

Compound notes

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