2-(Boc-amino)ethanthiol (>90%)

CAT: 0572-TRC-B618560-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-B618560-1GSize:1 g

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CAS Number

67385-09-5

Synonyms

(2-Mercaptoethyl)carbamic Acid 1,1-Dimethylethyl Ester; (2-Mercaptoethyl)carbamic acid tert-butyl ester; 1,1-Dimethylethyl (2-mercaptoethyl)carbamate; 2-(N-tert-Butoxycarbonylamino)ethanethiol; 2-(tert-Butoxycarbonylamino)ethanethiol; 2-(tert-Butoxycarbonylamino)ethylmercaptan; 2-[(tert-Butoxycarbonyl)amino]-1-ethanethiol; 2-tert-Butylcarbamate-ethanethiol; N-Boc-2-aminoethanethiol; N-tert-Butoxycarbonyl-2-aminoethanethiol; N-tert-Butoxycarbonylcysteamine; tert-Butyl (2-mercaptoethyl)carbamate; tert-Butyl (2-sulfanylethyl)carbamate; tert-Butyl-N-(2-mercaptoethyl)carbamate;

Hazard Statement

No Data Available

Smiles

CC(C)(C)OC(=O)NCCS

Molecular Formula

C7H15NO2S

Molecular Weight

177.26

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

N-(tert-butoxycarbonyl)-2-aminoethanethiol

used in solid phase synthesis of thiol-terminated peptides

CAS Number	67385-09-5
PubChem CID	3017761
IUPAC Name	tert-butyl N-(2-sulfanylethyl)carbamate
Molecular Formula	C7H15NO2S
Molecular Weight	177.27
XLogP	1.2
Topological Polar Surface Area	39.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	131

SMILES

CC(C)(C)OC(=O)NCCS

InChI

InChI=1S/C7H15NO2S/c1-7(2,3)10-6(9)8-4-5-11/h11H,4-5H2,1-3H3,(H,8,9)

InChIKey

GSJJCZSHYJNRPN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67385-09-5

CID: 3017761

Formula: C7H15NO2S

MW: 177.27

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	177.27
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	177.08234989
Monoisotopic Mass	177.08234989
Topological Polar Surface Area	39.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	131
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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2-(Boc-amino)ethanthiol (>90%)

Chemical Information

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