Propyl 3-methylbutanethioate

CAT: 1596-AR-B08190-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B08190-01Size:10 Units

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CAS Number

2432-58-8

Molecular Formula

C8H16OS

Molecular Weight

160.28

API Name

Butenoate

Chemical Information

S-Propyl 3-methylbutanethioate

CAS Number	2432-58-8
PubChem CID	546072
IUPAC Name	S-propyl 3-methylbutanethioate
Molecular Formula	C8H16OS
Molecular Weight	160.28
XLogP	2.8
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	99

SMILES

CCCSC(=O)CC(C)C

InChI

InChI=1S/C8H16OS/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3

InChIKey

NZRJNGAJWMNREL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2432-58-8

CID: 546072

Formula: C8H16OS

MW: 160.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.28
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	160.09218630
Monoisotopic Mass	160.09218630
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.4
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

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