Sodium 1-Propanethiolate (Technical Grade)

CAT: 0572-TRC-S673280-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-S673280-2.5GSize:2.5 g

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

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CAS Number

6898-84-6

Synonyms

1-Propanethiol, Sodium Salt; Propylmercaptan Sodium Salt; Sodium 1-Propanethiolate; Sodium n-Propylthiolate; Sodium Propanethiolate; Sodium Propyl Sulfide; Sodium Propylmercaptide

Hazard Statement

Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II

Smiles

[Na+].CCC[S-]

Molecular Formula

C3H7NaS

Molecular Weight

98.14

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

1-Propanethiol, sodium salt (1:1)

CAS Number	6898-84-6
PubChem CID	4681725
IUPAC Name	sodium propane-1-thiolate
Molecular Formula	C3H7NaS
Molecular Weight	98.14
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	10

SMILES

CCC[S-].[Na+]

InChI

InChI=1S/C3H8S.Na/c1-2-3-4;/h4H,2-3H2,1H3;/q;+1/p-1

InChIKey

XVSFHIIADLZQJP-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 6898-84-6

CID: 4681725

Formula: C3H7NaS

MW: 98.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	98.14
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	98.01661568
Monoisotopic Mass	98.01661568
Topological Polar Surface Area	1 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	10.9
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

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Sodium 1-Propanethiolate (Technical Grade)

Chemical Information

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