Naphthalen-1-ylmethylsulfanylmethanimidamide
Basic information
- CAS
5254-85-3- Standard SMILES
N=C(N)SCc1cccc2ccccc12- InChIKey
SHGHJFRHODQTAY-UHFFFAOYSA-N- Molecular formula
- C12H12N2S
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 216.07211956
Names & identifiers
- Preferred name
- Naphthalen-1-ylmethylsulfanylmethanimidamide
- IUPAC
- naphthalen-1-ylmethyl carbamimidothioate
Names & synonyms
NAPHTHALEN-1-YLMETHYLSULFANYLMETHANIMIDAMIDE5254-85-3MLS000573731SMR000184579cid_4583882-(1-naphthylmethyl)isothioureaCHEMBL1622032SCHEMBL13779244BDBM45016DTXSID30307610AKOS0089462952-(1-Naphthylmethyl)-2-thiopseudourea
Show more names
(Naphthalen-1-yl)methyl carbamimidothioateEU-00355632-(1-naphthylmethyl)isothiourea;hydrochloridecarbamimidothioic acid 1-naphthalenylmethyl ester;hydrochloride
Database identifiers
- CAS
5254-85-3- PubChem CID
- 303758
- DTXSID
DTXSID30307610- ChEMBL
CHEMBL1622032
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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