1-Butanethiol sodium

CAT: 0926-FB178064-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FB178064-01Size:1 g

Selected

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

Quick Request Actions

CAS Number

4779-86-6

MDL Number

MFCD00043320

Smiles

CCCC[S-].[Na+]

Molecular Formula

C4H9NaS

Molecular Weight

112.17 g/mol

Controlled

Chemical Information

1-butanethiol, sodium salt

CAS Number	4779-86-6
PubChem CID	3530993
IUPAC Name	sodium butane-1-thiolate
Molecular Formula	C4H9NaS
Molecular Weight	112.17
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	17

SMILES

CCCC[S-].[Na+]

InChI

InChI=1S/C4H10S.Na/c1-2-3-4-5;/h5H,2-4H2,1H3;/q;+1/p-1

InChIKey

VTLWRSNWWLIJTQ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 4779-86-6

CID: 3530993

Formula: C4H9NaS

MW: 112.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.17
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	112.03226574
Monoisotopic Mass	112.03226574
Topological Polar Surface Area	1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	17
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	2
Compound Is Canonicalized	Yes

Catalog	Name
FM35723	3-Methyl-1-butanethiol
FM00056-01	4-Methoxy-2-methyl-2-butanethiol
FS34253-01	Sodium 1-decanesulfonate
FS63002	Sodium 1-Tetradecanesulfonate
FS62995	Sodium 1-Dodecanesulfonate
FS34431-01	Sodium 1-naphthalenesulfonate
REA27782-01	Sodium 1-chloroethane-1-sulfonate
HBA79221-01	Sodium 1-hydroxypropane-1-sulfonate
XGC73867-01	Sodium 1,1-difluoroethane-1-sulfinate
RFC05254-01	WAY 127039-A-1 Sodium

Catalog	Name
C284-1G	Cefoperazone Sodium/Sulbactam Sodium (2:1)
A071-1G	Ampicillin Sodium/Sulbactam Sodium (2:1)
CS-O-55003	Sodium 1-Naphthaleneacetate
TRC-S634150-100G	Sodium 1-Heptanesulfonate
sc-250995	Sodium 1-tetradecanesulfonate
TRC-S621940-5G	Sodium 1-Decanesulfonate
sc-253573	Sodium 1-propanethiolate
PC99589	Sodium 1-fluorocyclobutanesulfinate
PC99592	Sodium 1-fluorocyclohexanesulfinate
31729-04	Sodium 1-Octanesulfonate