Basic information
- CAS
350996-91-7- Standard SMILES
CCCC1CCc2c(sc(N)c2C#N)C1- InChIKey
CMJOQDLSCOMRQU-UHFFFAOYSA-N- Molecular formula
- C12H16N2S
- Average molar mass
- 220.34 g/mol
- Monoisotopic mass
- 220.10341969
Names & identifiers
- Preferred name
- 2-Amino-4,5,6,7-tetrahydro-6-propylbenzo[b]thiophene-3-carbonitrile
- IUPAC
- 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
- English name
- 2-Amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
- Molecular formula
- C12H16N2S
- Molecular weight
- 220.33
Names & synonyms
350996-91-72-amino-4,5,6,7-tetrahydro-6-propylbenzo[b]thiophene-3-carbonitrile2-Amino-4,5,6,7-tetrahydro-6-propylbenzo(b)thiophene-3-carbonitrileRefChem:2554232-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile2-amino-6-propyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrileMFCD01993616CBMicro_031387Oprea1_389329BIM-0031542.P0012-amino-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrileBenzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-6-propyl-
Show more names
IVK/96844342-Amino-6-propyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile
Cambridge id 6132138CHEMBL1632448DTXSID101162363ALBB-001625BBL016730STK432007AKOS003270537AKOS017258877
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 410.6 · 410.6±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 0.35 · 0.35±0.40(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers9 total
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
台州盛泉医药科技有限公司（原台州昌源）15005869072 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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