2-Isocyanatothiophene

CAT: 0024-sc-259959ASize: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-259959ASize:10 g

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CAS Number

2048-57-9

Chemical Information

2-Isocyanatothiophene

CAS Number	2048-57-9
PubChem CID	2776375
IUPAC Name	2-isocyanatothiophene
Molecular Formula	C5H3NOS
Molecular Weight	125.15
XLogP	2.7
Topological Polar Surface Area	57.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	120

SMILES

C1=CSC(=C1)N=C=O

InChI

InChI=1S/C5H3NOS/c7-4-6-5-2-1-3-8-5/h1-3H

InChIKey

QVLWPBIUVXZGRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2048-57-9

CID: 2776375

Formula: C5H3NOS

MW: 125.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.15
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	124.99353489
Monoisotopic Mass	124.99353489
Topological Polar Surface Area	57.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	120
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-341538A	2-bromo-5-isocyanatothiophene
sc-341538	2-bromo-5-isocyanatothiophene
sc-261028	3-Isocyanatothiophene
sc-261028A	3-Isocyanatothiophene
sc-328560	Methyl 3-isocyanatothiophene-2-carboxylate
sc-260772	3-Bromo-4-isocyanatothiophene
sc-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate

Catalog	Name
BDA53713-01	2-Chloro-5-isocyanatothiophene
BDA53703-01	2-Bromo-5-isocyanatothiophene
BDA53710-01	3-Bromo-2-isocyanatothiophene
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate