1-Benzothiophen-6-amine

HCID 220591
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
5339-33-3
Standard SMILES
Nc1ccc2ccsc2c1
InChIKey
CHKYKCBEIFLRRR-UHFFFAOYSA-N
Molecular formula
C8H7NS
Average molar mass
149.21 g/mol
Monoisotopic mass
149.0299204

Names & identifiers

Preferred name
1-Benzothiophen-6-amine
IUPAC
1-benzothiophen-6-amine
English name
Benzo[b]thiophene-6-amine
Molecular formula
C8H7NS
Molecular weight
149.21

Names & synonyms

1-benzothiophen-6-amineRefChem:429634821-467-4Benzo[b]thiophen-6-amine5339-33-36-aminobenzo[b]thiopheneBenzo[b]thiophene-6-amineMFCD01860289NSC-3508BENZO(B)THIOPHEN-6-AMINE6-aminobenzothiopheneNSC3508
Show more names
1,2 1-BENZOTHIOPHEN-6-AMINEbenzenebenzo[b]thiophene-6-amineBenzo[b]thiophene-6-amine ISO 9001：2015 REACH
benzothiophen-6-aminebenzo[b]thiophen-6-ylaminebenzo[b]thiophene-6-ylamineHJ9S95SV9BSCHEMBL397816SCHEMBL2009270SCHEMBL9624198BENZO(B)THIEN-6-YLAMINE

Database identifiers

CAS
5339-33-3
PubChem CID
220591
DTXSID
DTXSID10277685
ChEMBL
CHEMBL5179239
UNII
HJ9S95SV9B
EC Number
821-467-4
Nikkaji
J81.006A

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
54.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
114 · 114-115 °C
Boiling point
150 · 150-154 °C(Press: 10 Torr)
Density
1.294 · 1.294±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
4.07 · 4.07±0.10(Predicted)
Appearance
White to off-white Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Upstream & downstream products

Suppliers27 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070

Related reactions

2 records
New reaction record

Compound notes

Loading…