1-Pentanethiol

CAT: 1596-AR-P01417-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P01417-02Size:25 Units

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CAS Number

110-66-7

Synonyms

Pentane-1-thiol; n-Amyl mercaptan; Pentanethiol; Amyl thioalcohol; Pentalarm; Amyl sulfhydrate; Amyl hydrosulfide; Pentylmercaptan; Thioamyl alcohol; n-Pentylmercaptan; 1-Mercaptopentane; Mercaptan amylique; n-Pentyl mercaptan; n-Thioamyl alcohol; Amyl mercaptans

Molecular Formula

C5H12S

Molecular Weight

104.21

API Name

Pentanethiol

Chemical Information

1-Pentanethiol

1-Pentanethiol is an alkanethiol.

CAS Number	110-66-7
PubChem CID	8067
IUPAC Name	pentane-1-thiol
Molecular Formula	C5H12S
Molecular Weight	104.22
XLogP	2.3
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	6
Formal Charge	0
Complexity	19

SMILES

CCCCCS

InChI

InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3

InChIKey

ZRKMQKLGEQPLNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110-66-7

CID: 8067

Formula: C5H12S

MW: 104.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	104.22
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	104.06597156
Monoisotopic Mass	104.06597156
Topological Polar Surface Area	1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	19.9
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	1
Compound Is Canonicalized	Yes

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Catalog	Name
287473-01	1-Pentanethiol
TRC-T896660-500MG	2,4,4-Trimethyl-1-pentanethiol
C387-10	5-Carboxy-1-Pentanethiol, 10 mg
433541-01	4,4,5,5,5-Pentafluoro-1-pentanethiol
297272-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose

1-Pentanethiol

Chemical Information

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