4-(Aminomethyl)benzo[b]thiophene

HCID 53397208
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Basic information

CAS
864264-04-0
Standard SMILES
NCc1cccc2sccc12
InChIKey
TZFMFHJVMMZUJF-UHFFFAOYSA-N
Molecular formula
C9H9NS
Average molar mass
163.24 g/mol
Monoisotopic mass
163.04557046

Names & identifiers

Preferred name
4-(Aminomethyl)benzo[b]thiophene
IUPAC
1-benzothiophen-4-ylmethanamine
English name
4-(AMinoMethyl)benzo[b]thiophene
Molecular formula
C9H9NS
Molecular weight
163.24

Names & synonyms

4-(Aminomethyl)benzo[b]thiophene864264-04-0benzo[b]thiophen-4-ylmethanamine1-benzothiophen-4-ylmethanamineMFCD166606911-(1-Benzothiophen-4-yl)methanamine(1-benzothiophen-4-yl)methanaminebenzothiophen-4-ylmethanamineSCHEMBL5067564-aminomethyl-benzo[b]thiopheneDTXSID90694356TZFMFHJVMMZUJF-UHFFFAOYSA-N
Show more names
Benzo[b]thiophene-4-methanamineC-Benzo[b]thiophen-4-yl-methylamine
AKOS022906515AS-32417SY026086DB-351041CS-0456481EN300-1271925

Database identifiers

CAS
864264-04-0
PubChem CID
53397208
DTXSID
DTXSID90694356

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
54.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Boiling point
303.9 · 303.9±17.0 °C(Predicted)
Density
1.227 · 1.227±0.06 g/cm3(Predicted)
pka
8.98 · 8.98±0.30(Predicted)

Chemistry & industry

Suppliers7 total

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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