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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
5-methoxy-1,3-dihydro-2H-benzimidazole-2-thione

Inventory

EC number:
253-326-2
EC name:
1,3-dihydro-5-methoxy-2H-benzimidazole-2-thione
CAS number:
37052-78-1
CAS number:
37052-78-1
Synonyms
Names:
1,3-dihydro-5-methoxy-2h-benzimidazole-2-thione
5-methoxy-1H-benzo[d]imidazole-2-thiol
Identifier:
IUPAC name
1,3-dihydro-5-methoxy-2H-benzimidazole-2-thione
Identifier:
IUPAC name
5-Methoxy-1H-benzimidazole-2-thiol
Identifier:
IUPAC name
5-methoxy-1,3-dihydrobenzimidazole-2-thione
Identifier:
PubChem
5-methoxy-1H-benzimidazole-2-thiol
Identifier:
PubChem
5-Methoxy-2-benzimidazolethiol
Identifier:
PubChem
5-Methoxy-2-mercaptobenzimidazole
Identifier:
PubChem
5-methoxy-1H-benzo[d]imidazole-2-thiol
Identifier:
other: InChl
1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
Identifier:
other: Molecular formula
C8 H8 N2 O S
Identifier:
other: SMILES notation
COC1=CC2=C(C=C1)NC(=S)N2
Identifier:
other: SMILES notation
COC1=CC=C2C(N=C(S)N2)=C1
Identifier:
other: SMILES notation
COc1ccc2c(c1)[nH]c(=S)[nH]2
Identifier:
other: InChl
InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)/i1-12,2-12,3-12,4-12,5-12,6-12,7-12,8-12,9-14,10-14,11-16,12-32
Identifier:
other: InChl
InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
5-methoxy-1,3-dihydro-2H-benzimidazole-2-thione

Molecular and structural information

Molecular formula:
C8H8N2OS
Molecular weight:
180.227
SMILES notation:
COc1ccc2NC(=S)Nc2c1
InChl:
InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
Structural formula:
Chemical structure

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