Butylat

CAT: 0024-sc-227549Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-227549Size:250 mg

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CAS Number

2008-41-5

Chemical Information

Butylate

Butylate is a tertiary amine.

CAS Number	2008-41-5
PubChem CID	16181
IUPAC Name	S-ethyl N,N-bis(2-methylpropyl)carbamothioate
Molecular Formula	C11H23NOS
Molecular Weight	217.37
XLogP	4.2
Topological Polar Surface Area	45.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	159

SMILES

CCSC(=O)N(CC(C)C)CC(C)C

InChI

InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3

InChIKey

BMTAFVWTTFSTOG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2008-41-5

CID: 16181

Formula: C11H23NOS

MW: 217.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.37
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	217.15003553
Monoisotopic Mass	217.15003553
Topological Polar Surface Area	45.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	159
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-239439	Butyl butyrate
sc-486779	Sec-Butyl Butyrate
sc-212988	T-Butyl (2S) -2-[ (Benzyloxycarbonylamino) ]-4-oxo-butyrate
sc-337575	Benzyl malerc-butylate
sc-214746	Clobetasone butyrate
sc-486565	Cinnamyl Butyrate
sc-487453	Isobutyl Butyrate
sc-294015C	Cholesteryl butyrate
sc-252527A	Butylated hydroxyanisole
sc-475300	Tetrahydrofurfuryl Butyrate