2-Isopropylthiophene

CAT: 0127-OR1098161-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1098161-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

4095-22-1

Purity

95%

Smiles

C1 (cccs1) C (C) C

Chemical Information

Thiophene, 2-(1-methylethyl)-

CAS Number	4095-22-1
PubChem CID	138113
IUPAC Name	2-propan-2-ylthiophene
Molecular Formula	C7H10S
Molecular Weight	126.22
XLogP	2.8
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	68

SMILES

CC(C)C1=CC=CS1

InChI

InChI=1S/C7H10S/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3

InChIKey

LOXBELRNKUFSRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4095-22-1

CID: 138113

Formula: C7H10S

MW: 126.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.22
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	126.05032149
Monoisotopic Mass	126.05032149
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	68.8
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
OR1044981-01	N-Isopropylthiophene-2-sulfonamide
OR1090832	2-Bromo-5-isopropylthiophene
OR78174-01	3-Isopropylthiophene-2-carboxylic acid
OR80811-01	5-Bromo-N-isopropylthiophene-2-carboxamide
OR960172-01	2-amino-4-isopropylthiophene-3-carbonitrile
OR1038225-01	Methyl 2-amino-4-isopropylthiophene-3-carboxylate
OR88568	3-Bromo-4-isopropylthiophene
OR911186-01	N-Isopropylthiophene-3-carboxamide
OR1042352-01	Ethyl 2-amino-5-isopropylthiophene-3-carboxylate
OR1029037-01	Ethyl 2-amino-4-isopropylthiophene-3-carboxylate

Catalog	Name
sc-355686	N-isopropylthiophene-2-carboximidoyl chloride
sc-290824	5-bromo-N-isopropylthiophene-2-carboxamide
415122-01	2-Amino-4-isopropylthiophene-3-carbonitrile
sc-328349	Methyl 2-amino-5-isopropylthiophene-3-carboxylate
sc-282898	2-amino-5-isopropylthiophene-3-carboxamide
459266-01	N-Isopropylthiophene-3-carboxamide
sc-284643	5-isopropylthiophene-3-carbohydrazide
448839-01	Ethyl 2-amino-4-isopropylthiophene-3-carboxylate
sc-327994	Isopropyl 2-amino-5-isopropylthiophene-3-carboxylate
sc-327198	Ethyl 2-amino-5-isopropylthiophene-3-carboxylate